Detailed information for compound 654404

Basic information

Technical information
  • TDR Targets ID: 654404
  • Name: N-[(4-tert-butylphenyl)methylideneamino]thiop hene-2-carboxamide
  • MW: 286.392 | Formula: C16H18N2OS
  • H donors: 1 H acceptors: 1 LogP: 4.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)N/N=C/c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C16H18N2OS/c1-16(2,3)13-8-6-12(7-9-13)11-17-18-15(19)14-5-4-10-20-14/h4-11H,1-3H3,(H,18,19)/b17-11+
  • InChiKey: KTJJOLNWDBVQJD-GZTJUZNOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-tert-butylphenyl)methyleneamino]thiophene-2-carboxamide
  • N-[(4-tert-butylphenyl)methyleneamino]-2-thiophenecarboxamide
  • N-[(4-tert-butylbenzylidene)amino]thiophene-2-carboxamide
  • STK091027

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0182 0.0909 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0033 0.1268
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0033 0.1268
Plasmodium vivax SET domain protein, putative 0.0031 0.0075 0.4158
Echinococcus multilocularis regulator of G protein signaling 7 0.0182 0.0909 0.0984
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.045 0.0473
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0027 0.0001
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.045 0.4765
Brugia malayi hypothetical protein 0.005 0.0179 0.0153
Loa Loa (eye worm) hypothetical protein 0.0031 0.0075 0.0075
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.032 0.1672 0.1835
Echinococcus multilocularis regulator of G protein signaling 7 0.0182 0.0909 0.0984
Echinococcus granulosus Regulator of G protein signaling 20 0.0182 0.0909 0.0984
Loa Loa (eye worm) PXA domain-containing protein 0.0182 0.0909 0.0909
Schistosoma mansoni hypothetical protein 0.0041 0.0128 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0909 0.6769
Entamoeba histolytica hypothetical protein 0.0182 0.0909 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.044 0.0462
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0033 0.1268
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0179 0.5
Brugia malayi hypothetical protein 0.0153 0.0744 0.072
Onchocerca volvulus 0.0031 0.0075 0.0384
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0264 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.0686 0.0736
Echinococcus granulosus axis inhibition protein axin 0.0182 0.0909 0.0984
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0137 0.0124
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.032 0.1672 0.1835
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1645 0.8993 0.899
Echinococcus multilocularis regulator of G protein signaling 0.0182 0.0909 0.0984
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0182 0.0909 0.0984
Loa Loa (eye worm) hypothetical protein 0.0182 0.0909 0.0909
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0027 0.0001
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.0686 0.0736
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1645 0.8993 0.8993
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0182 0.0909 0.0885
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0033 0.1268
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0264 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0182 0.0909 0.0984
Loa Loa (eye worm) hypothetical protein 0.0099 0.045 0.045
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0027
Brugia malayi PXA domain containing protein 0.0182 0.0909 0.0884
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0033 0.0007
Loa Loa (eye worm) hypothetical protein 0.0024 0.0033 0.0033
Echinococcus multilocularis regulator of G protein signaling 3 0.0182 0.0909 0.0984
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0264 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.044 0.0415
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0179 0.5
Echinococcus multilocularis protein dispatched 1 0.0049 0.017 0.0161
Schistosoma mansoni lipoxygenase 0.0064 0.0252 0.0227
Echinococcus multilocularis Regulator of G protein signaling 20 0.0182 0.0909 0.0984
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.044 0.0414
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.032 0.1672 0.1835
Brugia malayi CHE-14 protein 0.0043 0.0137 0.0111
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0182 0.0909 0.0909
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0909 0.6769
Echinococcus granulosus RUN 0.0023 0.0027 0.0001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0264 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0068 0.0047
Schistosoma mansoni polycystin 1-related 0.0023 0.0027 0.0001
Echinococcus multilocularis alkaline phosphatase 0.032 0.1672 0.1835
Echinococcus multilocularis RUN 0.0023 0.0027 0.0001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0264 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0075 0.0049
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0027 0.0001
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0182 0.0909 0.0885
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0033 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0033 0.1268
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.032 0.1672 0.1835
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 0.0252 0.0253
Loa Loa (eye worm) hypothetical protein 0.0182 0.0909 0.0909
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0064 0.0252 0.0253
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.0459 0.0434
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0027 0.0027
Brugia malayi regulator of G-protein signaling rgs-7 0.0182 0.0909 0.0884
Echinococcus granulosus axis inhibition protein axin 0.0182 0.0909 0.0984
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1645 0.8993 1
Brugia malayi regulator of G-protein signaling egl-10 0.0182 0.0909 0.0884
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0182 0.0909 0.6769
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0179 0.5537
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.0933 0.0909
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1828 1 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0182 0.0909 0.0884
Schistosoma mansoni regulator of G protein signaling 0.0182 0.0909 0.0885
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.044 0.0462
Echinococcus granulosus regulator of G protein signaling 3 0.0182 0.0909 0.0984
Schistosoma mansoni axis inhibition protein axin 0.0182 0.0909 0.0885
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0027 0.1483
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0264 0.0238
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0182 0.0909 0.0885
Brugia malayi hypothetical protein 0.0182 0.0909 0.0884
Brugia malayi PXA domain containing protein 0.0182 0.0909 0.0884
Loa Loa (eye worm) hypothetical protein 0.005 0.0179 0.0179
Echinococcus granulosus regulator of G protein signaling 7 0.0182 0.0909 0.0984
Schistosoma mansoni alkaline phosphatase 0.032 0.1672 0.165
Loa Loa (eye worm) hypothetical protein 0.0182 0.0909 0.0909
Echinococcus granulosus regulator of G protein signaling 7 0.0182 0.0909 0.0984
Trichomonas vaginalis set domain proteins, putative 0.0249 0.1277 1
Echinococcus granulosus expressed conserved protein 0.0093 0.0417 0.0436
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0075 0.0049
Onchocerca volvulus 0.0153 0.0744 0.5739
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0137 0.0124
Onchocerca volvulus 0.0024 0.0033 0.0055
Loa Loa (eye worm) RGS-3 protein 0.0182 0.0909 0.0909
Loa Loa (eye worm) hypothetical protein 0.0052 0.019 0.019
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0027 0.1483
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Schistosoma mansoni rab6-interacting 0.0023 0.0027 0.0001
Schistosoma mansoni hypothetical protein 0.0041 0.0128 0.0103
Loa Loa (eye worm) hypothetical protein 0.0182 0.0909 0.0909
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0027
Schistosoma mansoni regulator of G protein signaling 0.0182 0.0909 0.0885
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0033 0.1268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.044 0.0462
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0033 0.1268
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0909 0.6769
Schistosoma mansoni hypothetical protein 0.0041 0.0128 0.0103
Echinococcus granulosus expressed protein 0.0182 0.0909 0.0984
Loa Loa (eye worm) hypothetical protein 0.0182 0.0909 0.0909
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.045 0.0425
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0075 0.0049
Loa Loa (eye worm) hypothetical protein 0.0182 0.0909 0.0909
Schistosoma mansoni hypothetical protein 0.0166 0.0821 0.0797
Echinococcus granulosus intestinal type alkaline phosphatase 0.032 0.1672 0.1835
Echinococcus multilocularis intestinal type alkaline phosphatase 0.032 0.1672 0.1835
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0909 0.6769
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0075 0.0054
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.045 0.0473
Schistosoma mansoni patched 1 0.0043 0.0137 0.0111
Entamoeba histolytica hypothetical protein 0.0182 0.0909 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0033 0.1268
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0075 0.0049
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.111 0.111
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0027 0.0001
Brugia malayi hypothetical protein 0.0182 0.0909 0.0884
Echinococcus multilocularis axis inhibition protein axin 0.0182 0.0909 0.0984
Echinococcus multilocularis beta adrenergic receptor kinase 0.0187 0.0933 0.1011
Schistosoma mansoni hypothetical protein 0.0041 0.0128 0.0103
Schistosoma mansoni regulator of G protein signaling 0.0182 0.0909 0.0885
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0187 0.0933 0.0933
Brugia malayi Regulator of G protein signaling domain containing protein 0.0182 0.0909 0.0884
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0264 0.0238
Schistosoma mansoni lipoxygenase 0.0023 0.0027 0.0001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0075 0.0054
Schistosoma mansoni alkaline phosphatase 0.032 0.1672 0.165
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0033 0.0007
Schistosoma mansoni axis inhibition protein axin 0.0182 0.0909 0.0885
Mycobacterium ulcerans hypothetical protein 0.0024 0.0033 0.1268
Schistosoma mansoni regulator of G protein signaling 0.0182 0.0909 0.0885
Schistosoma mansoni z-protein (S1r protein) 0.0182 0.0909 0.0885
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0137 0.0124
Schistosoma mansoni rab6-interacting 0.0023 0.0027 0.0001
Schistosoma mansoni regulator of G protein signaling 0.0182 0.0909 0.0885
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0819 0.4425 0.4906
Brugia malayi Pre-SET motif family protein 0.0031 0.0075 0.0048
Loa Loa (eye worm) hypothetical protein 0.0153 0.0744 0.0744
Echinococcus multilocularis expressed protein 0.0182 0.0909 0.0984
Echinococcus multilocularis expressed conserved protein 0.0093 0.0417 0.0436
Brugia malayi Pre-SET motif family protein 0.0219 0.111 0.1086
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0027 0.0001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0264 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.044 0.0415
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.0933 0.0909
Schistosoma mansoni loxhd1 0.0023 0.0027 0.0001
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0137 0.0137
Leishmania major hypothetical protein, conserved 0.005 0.0179 0.6334
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0909 0.6769
Onchocerca volvulus 0.0249 0.1277 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.044 0.0462
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0909 0.6769
Brugia malayi hypothetical protein 0.0032 0.0081 0.0054
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0264 0.0265
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0137 0.0137
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0075 0.0054
Echinococcus multilocularis regulator of G protein signaling 3 0.0182 0.0909 0.0984
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0264 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.044 0.0415
Echinococcus granulosus beta-adrenergic receptor kinase 0.0187 0.0933 0.1011
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0179 0.5
Echinococcus granulosus regulator of G protein signaling 3 0.0182 0.0909 0.0984
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1645 0.8993 1
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1645 0.8993 0.8993
Echinococcus multilocularis axis inhibition protein axin 0.0182 0.0909 0.0984
Schistosoma mansoni serine/threonine protein kinase 0.1828 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0033 0.1268
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0179 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0182 0.0909 0.0884
Echinococcus multilocularis protein patched 0.0043 0.0137 0.0124
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0179 1
Schistosoma mansoni hypothetical protein 0.0023 0.0027 0.0001
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0179 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0027 0.0001
Echinococcus granulosus alkaline phosphatase 0.032 0.1672 0.1835

Activities

No activities found for this compound.

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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