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
SCHEMBL28335896 0.78 RAB9A (1.00) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL933577 0.78 MAOB (0.76) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1186510 0.78 RAB9A (1.00) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL13238323 0.78 SMN1; SMN2 (0.69) 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
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