Detailed information for compound 1195000

Basic information

Technical information
  • TDR Targets ID: 1195000
  • Name: 6-methyl-7-piperidin-1-ylsulfonyl-4H-1,4-benz oxazin-3-one
  • MW: 310.369 | Formula: C14H18N2O4S
  • H donors: 1 H acceptors: 3 LogP: 1.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1COc2c(N1)cc(c(c2)S(=O)(=O)N1CCCCC1)C
  • InChi: 1S/C14H18N2O4S/c1-10-7-11-12(20-9-14(17)15-11)8-13(10)21(18,19)16-5-3-2-4-6-16/h7-8H,2-6,9H2,1H3,(H,15,17)
  • InChiKey: UYPKYWWJTNIEGA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-7-(1-piperidylsulfonyl)-4H-1,4-benzoxazin-3-one
  • 6-methyl-7-piperidinosulfonyl-4H-1,4-benzoxazin-3-one
  • E245-0466
  • NCGC00121933-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0084 0.0853 0.2978
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0131 0.1429 0.2236
Echinococcus multilocularis geminin 0.0398 0.4688 0.4688
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0017 0.0044 0.0044
Echinococcus granulosus chromobox protein 1 0.0084 0.0859 0.0859
Mycobacterium ulcerans lipase LipD 0.0084 0.0853 0.1319
Brugia malayi Fli-1 protein 0.0248 0.2864 1
Plasmodium falciparum flap endonuclease 1 0.003 0.0197 0.2612
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0116 0.0406
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0116 0.111
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0259 0.1976
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0016 0.0024 0.0024
Mycobacterium tuberculosis Probable aminotransferase 0.0531 0.6305 0.9922
Onchocerca volvulus Putative hydrolase PNKD 0.0016 0.0024 0.0077
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0131 0.1429 0.2219
Loa Loa (eye worm) hypothetical protein 0.0062 0.0592 0.2067
Brugia malayi Pre-SET motif family protein 0.0036 0.0269 0.0939
Trichomonas vaginalis beta lactamase domain, putative 0.0016 0.0024 0.0039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0084 0.0853 0.0853
Trichomonas vaginalis beta lactamase domain, putative 0.0016 0.0024 0.0039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0094 0.0149
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0051 0.0051
Entamoeba histolytica alkyl sulfatase, putative 0.0016 0.0024 0.124
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0016 0.0024 0.0039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0028 0.0175 0.0277
Entamoeba histolytica alkyl sulfatase, putative 0.0016 0.0024 0.124
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0116 0.0145
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0531 0.6305 1
Loa Loa (eye worm) beta-lactamase 0.0084 0.0853 0.2978
Plasmodium vivax unspecified product 0.0016 0.0024 0.0286
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0063 0.0599 0.0907
Brugia malayi CHD4 protein 0.0017 0.0044 0.0154
Brugia malayi beta-lactamase 0.0084 0.0853 0.2978
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0075 0.0752 1
Schistosoma mansoni hypothetical protein 0.0398 0.4688 0.4688
Echinococcus granulosus Chromobox protein 3 0.0014 0.00000001759 0.00000001759
Brugia malayi TAR-binding protein 0.0065 0.062 0.2165
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0407 0.1281
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0017 0.0044 0.0044
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0075 0.0752 0.115
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.05 0.05
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0116 0.0406
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0016 0.0024 0.0085
Leishmania major DNA polymerase kappa, putative 0.0023 0.0116 0.111
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0075 0.0752 0.2627
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0506 0.1767
Loa Loa (eye worm) CXXC zinc finger family protein 0.0063 0.0604 0.2108
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trichomonas vaginalis A-type flavoprotein 0.0016 0.0024 0.0039
Echinococcus granulosus beta LACTamase domain containing family member 0.0084 0.0853 0.0853
Entamoeba histolytica metallo-beta-lactamase family protein 0.0016 0.0024 0.124
Trichomonas vaginalis beta lactamase domain, putative 0.0016 0.0024 0.0039
Onchocerca volvulus 0.0084 0.0853 0.2681
Mycobacterium tuberculosis Probable esterase LipL 0.0084 0.0853 0.1309
Echinococcus multilocularis beta LACTamase domain containing family member 0.0084 0.0853 0.0853
Trichomonas vaginalis beta lactamase domain, putative 0.0016 0.0024 0.0039
Echinococcus granulosus dna polymerase kappa 0.0023 0.0116 0.0116
Leishmania major DNA polymerase eta, putative 0.0023 0.0116 0.111
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0212 0.2424 0.762
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0016 0.0024 0.0077
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0075 0.0752 0.5745
Mycobacterium tuberculosis Conserved protein 0.0084 0.0853 0.1309
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0135 0.1484 0.1484
Loa Loa (eye worm) hypothetical protein 0.0039 0.0304 0.1062
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0116 0.0185
Brugia malayi metallo-beta-lactamase superfamily protein 0.0016 0.0024 0.0085
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0016 0.0024 0.0024
Brugia malayi beta-lactamase family protein 0.0084 0.0853 0.2978
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0116 0.111
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0531 0.6305 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0197 0.2078
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0116 0.0185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0269 0.0269
Loa Loa (eye worm) TAR-binding protein 0.0065 0.062 0.2165
Schistosoma mansoni hypothetical protein 0.0039 0.0304 0.0304
Plasmodium falciparum ornithine aminotransferase 0.0075 0.0752 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0084 0.0853 0.1319
Onchocerca volvulus 0.0037 0.0283 0.089
Loa Loa (eye worm) hypothetical protein 0.0084 0.0853 0.2978
Trypanosoma brucei unspecified product 0.0016 0.0028 0.0045
Brugia malayi Heterochromatin protein 1 0.0084 0.0859 0.2998
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0592 0.2067
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0024 0.0039
Trypanosoma brucei hypothetical protein, conserved 0.0084 0.0853 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0269 0.0269
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0016 0.0024 0.0186
Schistosoma mansoni ets-related 0.0248 0.2864 0.2864
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0269 0.0269
Echinococcus multilocularis Aminotransferase class III 0.0075 0.0752 0.0752
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0506 0.0506
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0197 1
Echinococcus granulosus GPCR family 2 0.0018 0.0051 0.0051
Brugia malayi N-terminal motif family protein 0.0212 0.2424 0.8464
Mycobacterium ulcerans hypothetical protein 0.0531 0.6305 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0523 0.1826
Echinococcus multilocularis flap endonuclease 1 0.003 0.0197 0.0197
Toxoplasma gondii ABC1 family protein 0.0084 0.0853 0.6513
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0506 0.0506
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0116 0.0116
Brugia malayi Ets-domain containing protein 0.0082 0.0831 0.29
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0216 0.2463 0.2463
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Mycobacterium leprae conserved hypothetical protein 0.0084 0.0853 0.1319
Onchocerca volvulus 0.0016 0.0024 0.0077
Mycobacterium ulcerans beta-lactamase 0.0084 0.0853 0.1319
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0024 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0024
Echinococcus granulosus dnaJ subfamily B 0.0417 0.492 0.492
Mycobacterium tuberculosis Conserved protein 0.0084 0.0853 0.1309
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Mycobacterium tuberculosis Probable lipase LipD 0.0084 0.0853 0.1309
Schistosoma mansoni tar DNA-binding protein 0.0065 0.062 0.062
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0175 0.0277
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0259 0.2828
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0531 0.6305 0.9922
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0116 0.0406
Echinococcus granulosus zinc phosphodiesterase 0.0016 0.0024 0.0024
Echinococcus granulosus geminin 0.0398 0.4688 0.4688
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.0853 0.1353
Loa Loa (eye worm) hypothetical protein 0.007 0.0686 0.2395
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0075 0.0752 0.1159
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0024 0.0039
Echinococcus granulosus cpg binding protein 0.0067 0.0648 0.0648
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.05 0.1571
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0116 0.0116
Loa Loa (eye worm) fli-1 protein 0.0248 0.2864 1
Mycobacterium tuberculosis Probable lipase LipE 0.0084 0.0853 0.1309
Loa Loa (eye worm) hypothetical protein 0.0084 0.0853 0.2978
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0016 0.0024 0.0024
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0016 0.0024 0.124
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0269 0.0269
Brugia malayi Pre-SET motif family protein 0.0241 0.2777 0.9695
Echinococcus multilocularis chromobox protein 1 0.0084 0.0859 0.0859
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0116 0.111
Entamoeba histolytica metallo-beta-lactamase family protein 0.0016 0.0024 0.124
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0197 0.1501
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0197 0.0686
Echinococcus granulosus mixed lineage leukemia protein mll 0.0017 0.0039 0.0039
Brugia malayi hypothetical protein 0.0016 0.0024 0.0085
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0197 0.2078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0523 0.1826
Brugia malayi mbt repeat family protein 0.0055 0.05 0.1745
Loa Loa (eye worm) hypothetical protein 0.0047 0.0407 0.1423
Mycobacterium leprae Probable lipase LipE 0.0084 0.0853 0.1319
Trichomonas vaginalis penicillin-binding protein, putative 0.0084 0.0853 0.1353
Trichomonas vaginalis beta lactamase domain, putative 0.0016 0.0024 0.0039
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0197 0.2304
Echinococcus granulosus flap endonuclease 1 0.003 0.0197 0.0197
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0084 0.0853 0.1309
Loa Loa (eye worm) hypothetical protein 0.0016 0.0024 0.0085
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0017 0.0039 0.0039
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0197 0.2078
Entamoeba histolytica hypothetical protein, conserved 0.0016 0.0024 0.124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0506 0.0506
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0506 0.0506
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0016 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0212 0.2424 0.8464
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0051 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.2777 0.9695
Trichomonas vaginalis helicase, putative 0.0014 0.0007 0.0011
Schistosoma mansoni gabp alpha 0.0082 0.0831 0.0831
Echinococcus granulosus chromobox protein 1 0.0084 0.0859 0.0859
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0075 0.0752 0.1159
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0269 0.0269
Schistosoma mansoni hypothetical protein 0.0018 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0036 0.0269 0.0939
Schistosoma mansoni hypothetical protein 0.0333 0.3891 0.3891
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0028 0.0045
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0259 0.0903
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0024 0.0039
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0016 0.0024 0.0085
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0084 0.0853 0.2978
Schistosoma mansoni tar DNA-binding protein 0.0065 0.062 0.062
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0175 0.0277
Plasmodium falciparum cytosolic glyoxalase II 0.0016 0.0024 0.0324
Brugia malayi Augmenter of liver regeneration 0.0035 0.0259 0.0903
Loa Loa (eye worm) CHromoDomain protein family member 0.0017 0.0044 0.0154
Trichomonas vaginalis set domain proteins, putative 0.0274 0.3181 0.5045
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.062 0.2165
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0028 0.0045
Brugia malayi metallo-beta-lactamase superfamily protein 0.0016 0.0024 0.0085
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0259 0.1976
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0016 0.0024 0.0286
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0083 0.029
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0451 0.1418
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0051 0.0177
Echinococcus granulosus GA binding protein alpha chain 0.0082 0.0831 0.0831
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0239 0.038
Echinococcus multilocularis ornithine aminotransferase 0.0075 0.0752 0.0752
Echinococcus multilocularis ornithine aminotransferase 0.0075 0.0752 0.0752
Onchocerca volvulus 0.0063 0.0604 0.1898
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0075 0.0752 0.1159
Trypanosoma brucei unspecified product 0.0023 0.0116 0.111
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0082 0.0831 0.29
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0075 0.0752 0.115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0269 0.0269
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0075 0.0752 0.1159
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.492 0.492
Onchocerca volvulus 0.005 0.0437 0.1373
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0024 0.0039
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0024
Onchocerca volvulus 0.0055 0.05 0.1571
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0259 0.2828
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.05 0.05
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0259 0.3439
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0269 0.2053
Schistosoma mansoni zinc phosphodiesterase 0.0016 0.0024 0.0024
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0116 0.592
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0051 0.0177
Brugia malayi CXXC zinc finger family protein 0.0063 0.0604 0.2108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0506 0.0506
Mycobacterium tuberculosis Conserved protein 0.0084 0.0853 0.1309
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0116 0.111
Echinococcus granulosus Aminotransferase class III 0.0075 0.0752 0.0752
Schistosoma mansoni DNA polymerase eta 0.0023 0.0116 0.0116
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0859 0.1362
Loa Loa (eye worm) hypothetical protein 0.0023 0.0116 0.0406
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.05 0.05
Entamoeba histolytica type A flavoprotein, putative 0.0016 0.0024 0.124
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0024 0.0039
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0116 0.0116
Echinococcus granulosus ETHE1 protein 0.0016 0.0024 0.0024
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0016 0.0024 0.0085
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0531 0.6305 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0535 0.6355 1
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.05 0.1745
Loa Loa (eye worm) hypothetical protein 0.0016 0.0024 0.0085
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0853 1
Brugia malayi Flap endonuclease-1 0.003 0.0197 0.0686
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0075 0.0752 0.115
Mycobacterium ulcerans lipoprotein LpqF 0.0063 0.0599 0.0914
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0853 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0239 0.038
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.05 0.05
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0018 0.0051 0.0177
Onchocerca volvulus 0.0014 0.00000001759 0.000000055294
Brugia malayi chromobox protein homolog 3 0.0047 0.0407 0.1423
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0016 0.0024 0.0024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0506 0.1767
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0016 0.0024 0.0085
Echinococcus granulosus ornithine aminotransferase 0.0075 0.0752 0.0752
Brugia malayi SET domain containing protein 0.0016 0.0032 0.0113
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0236 0.0236
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.0853 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.062 0.062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0506 0.0506
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.0853 0.1353
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0084 0.0853 0.2978
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0116 0.111
Schistosoma mansoni hypothetical protein 0.0018 0.0051 0.0051
Echinococcus multilocularis zinc phosphodiesterase 0.0016 0.0024 0.0024
Trichomonas vaginalis esterase, putative 0.0084 0.0853 0.1353
Trichomonas vaginalis beta lactamase domain, putative 0.0016 0.0024 0.0039
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Schistosoma mansoni chromobox protein 0.0084 0.0859 0.0859
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0259 0.2828
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0175 0.0277
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0075 0.0752 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0592 0.0592
Brugia malayi ethe1-prov protein 0.0016 0.0024 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Loa Loa (eye worm) hypothetical protein 0.0084 0.0853 0.2978
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0051 0.0177
Echinococcus multilocularis chromobox protein 1 0.0084 0.0859 0.0859
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0116 0.0116
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0084 0.0853 0.0853
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0094 0.0149
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.05 0.05
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0051 0.0051
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0028 0.0175 0.0277
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Leishmania major hypothetical protein, conserved 0.0035 0.0259 0.2828
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.05 0.05
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0021 0.0086 0.0086
Schistosoma mansoni flap endonuclease-1 0.0027 0.0161 0.0161
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0051 0.0051
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0523 0.1826
Entamoeba histolytica type A flavoprotein, putative 0.0016 0.0024 0.124
Mycobacterium ulcerans L-lysine aminotransferase 0.0075 0.0752 0.1159
Schistosoma mansoni tar DNA-binding protein 0.0065 0.062 0.062
Schistosoma mansoni cpg binding protein 0.0067 0.0648 0.0648
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0592 0.0592
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0437 0.0437
Schistosoma mansoni hypothetical protein 0.0417 0.492 0.492
Echinococcus multilocularis dna polymerase eta 0.0023 0.0116 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0075 0.0752 0.1159
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0016 0.0024 0.0085
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0451 0.0715
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0259 0.3033
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0075 0.0752 0.0752
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0451 0.0715
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0116 0.111
Echinococcus granulosus dna polymerase eta 0.0023 0.0116 0.0116
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0039 0.0039
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0016 0.0024 0.124
Brugia malayi RNA binding protein 0.0065 0.062 0.2165
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0063 0.0599 0.0914
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Loa Loa (eye worm) MBCTL1 0.0062 0.0592 0.2067
Brugia malayi mbt repeat family protein 0.0055 0.05 0.1745
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0084 0.0853 0.1309
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0175 0.0277
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0116 0.111
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0407 0.0646
Mycobacterium tuberculosis Probable hydrolase 0.0084 0.0853 0.1309
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0016 0.0024 0.0024
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0259 0.0259
Schistosoma mansoni zinc phosphodiesterase 0.0016 0.0024 0.0024
Echinococcus multilocularis GPCR, family 2 0.0018 0.0051 0.0051
Echinococcus multilocularis cpg binding protein 0.0067 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0057 0.0523 0.1826
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0084 0.0853 0.1309
Loa Loa (eye worm) hypothetical protein 0.0055 0.05 0.1745
Giardia lamblia DINP protein human, muc B family 0.0023 0.0116 0.5343
Echinococcus multilocularis tar DNA binding protein 0.0065 0.062 0.062
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0016 0.0024 0.0186
Trichomonas vaginalis apoptosis inducing factor, putative 0.0016 0.0024 0.0039
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0116 0.111
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0216 0.2463 0.2463
Onchocerca volvulus 0.0016 0.0024 0.0077
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0304 0.1062
Schistosoma mansoni hypothetical protein 0.0016 0.0024 0.0024
Plasmodium vivax ornithine aminotransferase, putative 0.0075 0.0752 0.882
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.062 0.2165
Onchocerca volvulus 0.0274 0.3181 1
Onchocerca volvulus 0.0084 0.0853 0.2681
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0075 0.0752 0.115
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0028 0.0045
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.0853 0.1353
Loa Loa (eye worm) hypothetical protein 0.0016 0.0024 0.0085
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0592 0.0592
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0116 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Brugia malayi beta-lactamase family protein 0.0084 0.0853 0.2978
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0259 0.0259
Schistosoma mansoni cpg binding protein 0.0063 0.0604 0.0604
Mycobacterium ulcerans acetylornithine aminotransferase 0.0075 0.0752 0.1159
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0007 0.0011
Loa Loa (eye worm) hypothetical protein 0.0084 0.0853 0.2978
Schistosoma mansoni cpg binding protein 0.0067 0.0648 0.0648
Entamoeba histolytica metallo-beta-lactamase family protein 0.0016 0.0024 0.124
Brugia malayi Ets-domain containing protein 0.0082 0.0831 0.29
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0081 0.0129
Loa Loa (eye worm) hypothetical protein 0.0084 0.0853 0.2978
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.05 0.05
Plasmodium vivax SET domain protein, putative 0.0036 0.0269 0.3151
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0259 0.2828
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0197 0.0312
Leishmania major hypothetical protein, conserved 0.0084 0.0853 1
Schistosoma mansoni chromobox protein 0.0084 0.0859 0.0859
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0398 0.4688 0.4688
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0116 0.111
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0116 0.0116
Mycobacterium ulcerans esterase/lipase LipP 0.0084 0.0853 0.1319
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0016 0.0024 0.0024
Echinococcus granulosus tar DNA binding protein 0.0065 0.062 0.062
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0116 0.111
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0116 0.111
Echinococcus multilocularis ETHE1 protein 0.0016 0.0024 0.0024
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0017 0.0044 0.0044
Onchocerca volvulus 0.0084 0.0853 0.2681
Schistosoma mansoni hypothetical protein 0.0018 0.0051 0.0051
Mycobacterium ulcerans hypothetical protein 0.0084 0.0853 0.1319
Echinococcus multilocularis Chromobox protein 3 0.0014 0.00000001759 0.00000001759
Toxoplasma gondii histone lysine methyltransferase SET1 0.0121 0.131 1
Treponema pallidum ribonuclease Z 0.0016 0.0024 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0592 0.0592
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0859 0.1362
Entamoeba histolytica Flap nuclease, putative 0.003 0.0197 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0859 0.2998
Loa Loa (eye worm) histone methyltransferase 0.0021 0.0086 0.0301
Loa Loa (eye worm) hypothetical protein 0.0037 0.0283 0.0988
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0407 0.0646
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0075 0.0752 0.1159
Schistosoma mansoni tar DNA-binding protein 0.0065 0.062 0.062
Trichomonas vaginalis penicillin-binding protein, putative 0.0084 0.0853 0.1353
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0075 0.0752 0.1159
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0116 0.0146
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0116 0.0145
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0021 0.0086 0.0086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0175 0.0277
Schistosoma mansoni hypothetical protein 0.0018 0.0051 0.0051
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0028 0.0175 0.0277
Echinococcus multilocularis GA binding protein alpha chain 0.0082 0.0831 0.0831
Trypanosoma brucei unspecified product 0.0016 0.0028 0.0045
Loa Loa (eye worm) RNA binding protein 0.0065 0.062 0.2165
Trypanosoma brucei beta lactamase 0.0063 0.0599 0.693

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0037 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 0.1995 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 1258.9254 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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