Detailed information for compound 1569682

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.405 | Formula: C16H18N4OS
  • H donors: 2 H acceptors: 2 LogP: 3.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNc1nc(NCc2ccccc2)nc2c1scc2
  • InChi: 1S/C16H18N4OS/c1-21-9-8-17-15-14-13(7-10-22-14)19-16(20-15)18-11-12-5-3-2-4-6-12/h2-7,10H,8-9,11H2,1H3,(H2,17,18,19,20)
  • InChiKey: UNTOHGPOSRPRHE-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0244 0.0237
Schistosoma mansoni survival motor neuron protein 0.0055 0.0161 0.0154
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0079 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0062 0.3208
Loa Loa (eye worm) runx1 0.0047 0.0127 0.0127
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0549 0.2098 0.2096
Echinococcus granulosus acetylcholinesterase 0.2562 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0015 0.0008
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.0013
Brugia malayi nuclear receptor NHR-88 0.0034 0.0079 0.0071
Onchocerca volvulus 0.0433 0.1643 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.002
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0171 0.0617 0.061
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0079 0.0071
Loa Loa (eye worm) hypothetical protein 0.0018 0.0015 0.0015
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Echinococcus multilocularis Protein lozenge 0.0047 0.0127 0.0125
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2264 0.8828 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0171 0.0617 0.0617
Trypanosoma cruzi DNA polymerase kappa, putative 0.0053 0.0152 0.2209
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0107 0.0365 0.5779
Loa Loa (eye worm) RNA binding protein 0.0076 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0023
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0079 0.0076
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0051 0.0051
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0079 0.0076
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0433 0.1643 0.1637
Mycobacterium tuberculosis Conserved hypothetical protein 0.0171 0.0617 0.0678
Schistosoma mansoni hypothetical protein 0.0047 0.0127 0.012
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.0007 0.0005
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0106 0.0104
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0051 0.0043
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0079 0.0071
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0051 0.0512
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0052 0.2468
Echinococcus granulosus dna polymerase kappa 0.0053 0.0152 0.015
Echinococcus multilocularis dna polymerase kappa 0.0053 0.0152 0.015
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.1011 0.1009
Loa Loa (eye worm) carboxylesterase 0.2562 1 1
Loa Loa (eye worm) carboxylesterase 0.0433 0.1643 0.1643
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Echinococcus granulosus hypothetical protein 0.0019 0.002 0.0018
Schistosoma mansoni hypothetical protein 0.0047 0.0127 0.012
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.0013
Loa Loa (eye worm) hypothetical protein 0.006 0.0177 0.0177
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Brugia malayi polk-prov protein 0.003 0.0062 0.0055
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0079 0.0079
Entamoeba histolytica hypothetical protein 0.0041 0.0106 0.1094
Loa Loa (eye worm) hypothetical protein 0.2562 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Entamoeba histolytica deoxycytidyl transferase, putative 0.0033 0.0073 0.0679
Echinococcus granulosus lysine specific histone demethylase 1A 0.0171 0.0617 0.0614
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0023
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Toxoplasma gondii histone lysine-specific demethylase 0.0171 0.0617 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0079 0.0071
Brugia malayi hypothetical protein 0.0433 0.1643 0.1637
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0023 0.0004
Echinococcus granulosus tumor protein p63 0.0389 0.1469 0.1467
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0079 0.0071
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.022 0.0806 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0015 0.0015
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0079 0.0076
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0079 0.0071
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0016 0.0007 0.0005
Schistosoma mansoni lamin 0.0031 0.0065 0.0058
Echinococcus granulosus para nitrobenzyl esterase 0.0433 0.1643 0.1641
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0051 0.0389
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0065 0.0058
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0171 0.0617 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0433 0.1643 0.1641
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0065 0.0065
Echinococcus granulosus neuroligin 0.0433 0.1643 0.1641
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0007 0.0005
Trypanosoma cruzi DNA polymerase kappa, putative 0.0053 0.0152 0.2209
Onchocerca volvulus 0.0055 0.0161 0.0942
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0079 0.0071
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.0007 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0079 0.0079
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0244 0.0237
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0134 0.0132
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Toxoplasma gondii aldose reductase, putative 0.0019 0.002 0.0272
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0244 0.0244
Echinococcus granulosus intermediate filament protein 0.0031 0.0065 0.0063
Plasmodium vivax hypothetical protein, conserved 0.0171 0.0617 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0079 0.0076
Loa Loa (eye worm) hypothetical protein 0.0171 0.0617 0.0617
Schistosoma mansoni gliotactin 0.0433 0.1643 0.1637
Entamoeba histolytica hypothetical protein 0.0041 0.0106 0.1094
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.0013
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Echinococcus granulosus expressed conserved protein 0.0106 0.0361 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0023
Echinococcus multilocularis carboxylesterase 5A 0.2562 1 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.1011 0.1011
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0093 0.0084
Echinococcus multilocularis expressed conserved protein 0.0106 0.0361 0.0359
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.005 0.0138 0.0136
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0134 0.0132
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2435 0.9501 1
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.0073 0.0066
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.005 0.0138 0.1983
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0033 0.0073 0.0073
Onchocerca volvulus 0.0019 0.002 0.0078
Schistosoma mansoni hypothetical protein 0.0055 0.0161 0.0154
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.005 0.0138 0.0131
Mycobacterium tuberculosis Carboxylesterase LipT 0.0433 0.1643 0.1843
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2562 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Leishmania major DNA polymerase kappa, putative 0.0038 0.0093 0.1221
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0549 0.2098 0.2096
Loa Loa (eye worm) hypothetical protein 0.0057 0.0167 0.0167
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Echinococcus granulosus aldo keto reductase 0.0019 0.002 0.0018
Echinococcus multilocularis protein dispatched 1 0.0055 0.0161 0.0159
Brugia malayi TAR-binding protein 0.0076 0.0244 0.0237
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0016 0.0007 0.0007
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0079 0.0071
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0007 0.0005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0018 0.0015 0.0015
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0079 0.0071
Echinococcus granulosus lysine specific histone demethylase 1A 0.0171 0.0617 0.0614
Mycobacterium ulcerans dehydrogenase 0.0171 0.0617 0.0629
Plasmodium falciparum protoporphyrinogen oxidase 0.0171 0.0617 1
Echinococcus multilocularis musashi 0.0031 0.0065 0.0063
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0051 0.0032
Schistosoma mansoni terminal deoxycytidyl transferase 0.0033 0.0073 0.0066
Brugia malayi Carboxylesterase family protein 0.0433 0.1643 0.1637
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0509 0.0509
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0171 0.0617 1
Echinococcus granulosus Niemann Pick C1 protein 0.0162 0.0579 0.0577
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0079 0.0071
Brugia malayi nuclear hormone receptor 0.0034 0.0079 0.0071
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0433 0.1643 0.1843
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Loa Loa (eye worm) hypothetical protein 0.003 0.0063 0.0063
Treponema pallidum fructose-bisphosphate aldolase 0.022 0.0806 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0079 0.0071
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0051 0.0032
Mycobacterium ulcerans carboxylesterase, LipT 0.0433 0.1643 0.1712
Schistosoma mansoni neuroligin 3 (S09 family) 0.0433 0.1643 0.1637
Leishmania major UDP-galactopyranose mutase 0.0171 0.0617 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0106 0.0104
Onchocerca volvulus 0.0171 0.0617 0.3726
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Mycobacterium ulcerans DNA polymerase IV 0.0053 0.0152 0.0139
Loa Loa (eye worm) hypothetical protein 0.0373 0.1406 0.1406
Trypanosoma brucei unspecified product 0.0023 0.0033 0.0991
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Brugia malayi intermediate filament protein 0.0031 0.0065 0.0058
Trypanosoma cruzi DNA polymerase kappa, putative 0.0053 0.0152 0.2209
Brugia malayi MH2 domain containing protein 0.0144 0.0509 0.0503
Echinococcus multilocularis acetylcholinesterase 0.2562 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Onchocerca volvulus 0.0019 0.002 0.0078
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0015 0.0008
Mycobacterium ulcerans monoamine oxidase 0.0171 0.0617 0.0629
Trichomonas vaginalis DNA polymerase eta, putative 0.0053 0.0152 0.0812
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0079 0.0076
Echinococcus granulosus aldo keto reductase 0.0019 0.002 0.0018
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0053 0.0152 0.0812
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.005 0.0138 0.0136
Echinococcus multilocularis para nitrobenzyl esterase 0.0433 0.1643 0.1641
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0007 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Brugia malayi SWIRM domain containing protein 0.0171 0.0617 0.061
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0007 0.0005
Mycobacterium ulcerans DNA polymerase IV 0.0053 0.0152 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0079 0.0071
Echinococcus multilocularis aldo keto reductase 0.0019 0.002 0.0018
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0033 0.0073 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0093 0.5525
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0079 0.0071
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0079 0.0076
Onchocerca volvulus 0.0433 0.1643 1
Trypanosoma brucei unspecified product 0.0023 0.0033 0.0991
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Brugia malayi hypothetical protein 0.0272 0.1011 0.1005
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0388 0.0386
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0009 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0073 0.0894
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0171 0.0617 0.0614
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0079 0.0076
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0009 0.0002
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0079 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0052 0.2468
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0079 0.0436
Entamoeba histolytica hypothetical protein 0.0041 0.0106 0.1094
Onchocerca volvulus 0.0019 0.002 0.0078
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.0007 0.0007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0007 0.0005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0079 0.0076
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.005 0.0138 0.0138
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0549 0.2098 0.2092
Trypanosoma cruzi UDP-galactopyranose mutase 0.0171 0.0617 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0171 0.0617 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.0395 0.0388
Loa Loa (eye worm) carboxylesterase 0.0433 0.1643 0.1643
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0018 0.0015 0.0015
Schistosoma mansoni microtubule-associated protein tau 0.0794 0.3059 0.3054
Echinococcus multilocularis lamin 0.0031 0.0065 0.0063
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0031 0.0065 0.0065
Brugia malayi Carboxylesterase family protein 0.2562 1 1
Echinococcus multilocularis protein patched 0.0049 0.0134 0.0132
Echinococcus multilocularis protoporphyrinogen oxidase 0.0171 0.0617 0.0614
Onchocerca volvulus 0.0034 0.0079 0.0436
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0023
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.0013
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0107 0.0365 0.0364
Brugia malayi ecdysteroid receptor 0.0034 0.0079 0.0071
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0171 0.0617 1
Brugia malayi ImpB/MucB/SamB family protein 0.0033 0.0073 0.0066
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.005 0.0138 0.1983
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0388 0.0386
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0007 0.0005
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0079 0.0076
Trypanosoma brucei DNA polymerase IV, putative 0.0048 0.0132 0.8523
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0171 0.0617 0.0629
Loa Loa (eye worm) hypothetical protein 0.2562 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0106 0.0099
Trichomonas vaginalis spcc417.12 protein, putative 0.0433 0.1643 1
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0015 0.0008
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0051 0.0389
Loa Loa (eye worm) DR-78 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0051 0.0043
Onchocerca volvulus 0.0019 0.002 0.0078
Echinococcus multilocularis dna polymerase eta 0.0033 0.0073 0.0071
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0051 0.0036
Giardia lamblia Fructose-bisphosphate aldolase 0.022 0.0806 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0079 0.0076
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0051 0.0389
Echinococcus granulosus microtubule associated protein 2 0.0794 0.3059 0.3057
Brugia malayi Carboxylesterase family protein 0.0433 0.1643 0.1637
Echinococcus multilocularis aldo keto reductase 0.0019 0.002 0.0018
Echinococcus multilocularis tumor protein p63 0.0389 0.1469 0.1467
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0023 0.0005
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.005 0.0138 0.8974
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0134 0.0134
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0244 0.0244
Schistosoma mansoni hypothetical protein 0.0047 0.0127 0.012
Schistosoma mansoni DNA polymerase eta 0.0033 0.0073 0.0066
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0079 0.0071
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0244 0.0237
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0079 0.0071
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Onchocerca volvulus 0.0031 0.0065 0.0355
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0079 0.0076
Onchocerca volvulus 0.0019 0.002 0.0078
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0051 0.0032
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0079 0.0076
Echinococcus granulosus aldo keto reductase 0.0019 0.002 0.0018
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0549 0.2098 0.2092
Echinococcus granulosus transcription factor Dp 1 0.0029 0.0056 0.0054
Echinococcus multilocularis aldo keto reductase 0.0019 0.002 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0079 0.0071
Schistosoma mansoni aldo-keto reductase 0.0019 0.002 0.0013
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0033 0.0073 0.0066
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Brugia malayi Carboxylesterase family protein 0.0433 0.1643 0.1637
Onchocerca volvulus 0.0373 0.1406 0.8554
Schistosoma mansoni intermediate filament proteins 0.0031 0.0065 0.0058
Loa Loa (eye worm) hypothetical protein 0.0049 0.0134 0.0134
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2435 0.9501 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.0388 0.4683
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0549 0.2098 0.2098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0079 0.0071
Echinococcus multilocularis 0.0171 0.0617 0.0614
Mycobacterium ulcerans oxidoreductase 0.0171 0.0617 0.0629
Loa Loa (eye worm) acetylcholinesterase 1 0.2562 1 1
Schistosoma mansoni acetylcholinesterase 0.0433 0.1643 0.1637
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0079 0.0071
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0079 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0079 0.0079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0079 0.0076
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0171 0.0617 0.0617
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Loa Loa (eye worm) hypothetical protein 0.0373 0.1406 0.1406
Echinococcus multilocularis neuroligin 0.0433 0.1643 0.1641
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0093 0.1221
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0051 0.0512
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0051 0.0512
Echinococcus granulosus tar DNA binding protein 0.0076 0.0244 0.0242
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.005 0.0138 0.0131
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0079 0.0071
Trypanosoma brucei DNA polymerase IV, putative 0.0053 0.0152 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0033 0.0073 0.0071
Echinococcus multilocularis aldo keto reductase 0.0019 0.002 0.0018
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0015 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0079 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0134 0.0704
Mycobacterium tuberculosis Conserved hypothetical protein 0.0033 0.0073 0.0062
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0171 0.0617 0.0617
Echinococcus multilocularis acetylcholinesterase 0.2562 1 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0051 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0244 0.0237
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0244 0.0242
Echinococcus granulosus lamin dm0 0.0031 0.0065 0.0063
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0015 0.0008
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0079 0.0071
Schistosoma mansoni amine oxidase 0.0171 0.0617 0.061
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0051 0.0032
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0171 0.0617 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Schistosoma mansoni aldo-keto reductase 0.0019 0.002 0.0013
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0107 0.0365 0.0392
Echinococcus granulosus lamin 0.0031 0.0065 0.0063
Chlamydia trachomatis protoporphyrinogen oxidase 0.0171 0.0617 1
Brugia malayi hypothetical protein 0.0041 0.0106 0.0099
Brugia malayi amine oxidase, flavin-containing family protein 0.0171 0.0617 0.061
Schistosoma mansoni hypothetical protein 0.0047 0.0127 0.012
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Schistosoma mansoni amine oxidase 0.0171 0.0617 0.061
Onchocerca volvulus 0.0433 0.1643 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0433 0.1643 1
Schistosoma mansoni pol-related 0.0019 0.002 0.0013
Trypanosoma cruzi DNA polymerase kappa, putative 0.0053 0.0152 0.2209
Echinococcus multilocularis Niemann Pick C1 protein 0.0162 0.0579 0.0577
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Schistosoma mansoni coup transcription factor 0.0034 0.0079 0.0071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.022 0.0806 0.4843
Brugia malayi nuclear receptor RXR 0.0018 0.0015 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0079 0.0079
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.002 0.0001
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0051 0.0043
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.022 0.0806 1
Entamoeba histolytica hypothetical protein 0.0041 0.0106 0.1094
Echinococcus granulosus BC026374 protein S09 family 0.0433 0.1643 0.1641
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0051 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0244 0.0237
Leishmania major DNA polymerase eta, putative 0.0033 0.0073 0.0894
Loa Loa (eye worm) hypothetical protein 0.0171 0.0617 0.0617
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0079 0.0076
Schistosoma mansoni lamin 0.0031 0.0065 0.0058
Loa Loa (eye worm) hypothetical protein 0.0027 0.0051 0.0051
Schistosoma mansoni patched 1 0.0049 0.0134 0.0127
Loa Loa (eye worm) hypothetical protein 0.0433 0.1643 0.1643
Brugia malayi hypothetical protein 0.0018 0.0015 0.0008
Brugia malayi Carboxylesterase family protein 0.0433 0.1643 0.1637
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.005 0.0138 0.1505
Onchocerca volvulus 0.0027 0.0051 0.0265
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.005 0.0138 0.1983
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.0007 0.0005
Brugia malayi steroid hormone receptor 0.0034 0.0079 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0079 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0052 0.2468
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0079 0.0436
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.0007 0.0005
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0509 0.0509
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0244 0.0237
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0079 0.0071
Onchocerca volvulus 0.0433 0.1643 1
Echinococcus granulosus dna polymerase eta 0.0033 0.0073 0.0071
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0051 0.0032
Onchocerca volvulus 0.0019 0.002 0.0078
Schistosoma mansoni hypothetical protein 0.0041 0.0106 0.0099
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0015 0.0015
Echinococcus multilocularis microtubule associated protein 2 0.0794 0.3059 0.3057
Echinococcus granulosus carboxylesterase 5A 0.2562 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0433 0.1643 0.1637
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0161 0.0154
Brugia malayi CHE-14 protein 0.0049 0.0134 0.0127
Echinococcus granulosus acetylcholinesterase 0.2562 1 1
Trypanosoma brucei unspecified product 0.0048 0.0132 0.8523
Onchocerca volvulus 0.0057 0.0167 0.0976
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0079 0.0071
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Brugia malayi hypothetical protein 0.0373 0.1406 0.14
Loa Loa (eye worm) hypothetical protein 0.0171 0.0617 0.0617
Echinococcus multilocularis BC026374 protein (S09 family) 0.0433 0.1643 0.1641
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0051 0.0036
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0079 0.0071
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0933 0.3604 0.3603
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0152 1
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0079 0.0071
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0433 0.1643 0.1637
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.003 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0016 0.0007 0.0007
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0051 0.0512
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0171 0.0617 0.061
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0079 0.0076
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0079 0.0076
Echinococcus multilocularis transcription factor Dp 1 0.0029 0.0056 0.0054
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.1011 0.1009
Loa Loa (eye worm) hypothetical protein 0.0033 0.0073 0.0073
Plasmodium vivax hypothetical protein, conserved 0.0171 0.0617 1
Schistosoma mansoni lozenge 0.0047 0.0127 0.012
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0433 0.1643 0.1843
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.0388 0.0381
Loa Loa (eye worm) hypothetical protein 0.0113 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0034 0.0079 0.0079
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Brugia malayi hypothetical protein 0.0018 0.0015 0.0008
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.0007 0.0005
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0134 0.0132
Mycobacterium tuberculosis Possible oxidoreductase 0.0171 0.0617 0.0678
Brugia malayi RNA binding protein 0.0076 0.0244 0.0237
Echinococcus multilocularis lamin dm0 0.0031 0.0065 0.0063
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0051 0.0512
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0079 0.0436
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.002 0.0018
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0079 0.0071
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0065 0.0065
Giardia lamblia DINP protein human, muc B family 0.0038 0.0093 0.0927
Onchocerca volvulus 0.0031 0.0065 0.0355
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0167 0.016
Schistosoma mansoni BC026374 protein (S09 family) 0.0433 0.1643 0.1637
Trypanosoma brucei DNA polymerase IV, putative 0.0053 0.0152 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0079 0.0076
Loa Loa (eye worm) hypothetical protein 0.0027 0.0051 0.0051
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0051 0.0032
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0433 0.1643 0.1641
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0171 0.0617 1
Trypanosoma brucei DNA polymerase eta, putative 0.0033 0.0073 0.4048
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0062 0.3208
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.002 0.0018
Trypanosoma cruzi UDP-galactopyranose mutase 0.0171 0.0617 1
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Onchocerca volvulus 0.0433 0.1643 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0079 0.0079
Brugia malayi hypothetical protein 0.0171 0.0617 0.061

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Hit Validation in HepG2 Cells using COP promoter. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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