SCHEMBL8558672

SCHEMBL8558672

COc1ccc(COc2ccc(C(N)=S)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
MAOB P27338 1/20 0.60
APP P05067 5/20 0.57
F2 P00734 2/20 0.57
PARP10 Q53GL7 2/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
TMPRSS6 Q8IU80 1/20 0.57
ST14 Q9Y5Y6 1/20 0.57
PLA2G4B P0C869 1/20 0.56
FFAR1 O14842 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL201860 0.84 CA1 (0.61) SMN1; SMN2ALDH1A1MAPTHTTPARP10
SCHEMBL11119945 0.83 NR4A2 (0.64) NPC1RAB9AALDH1A1MAPTMAOB
SCHEMBL12339549 0.83 PARP10 (0.83) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6890765 0.83 PARP10 (0.70) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL20000873 0.82 APP (0.80) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL13424151 0.78 APP (0.69) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1186510 0.78 RAB9A (1.00) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL933577 0.78 MAOB (0.76) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL28335896 0.78 RAB9A (1.00) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3201438 0.78 ALDH1A1 (1.00) NPC1POLBRAB9ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed