SCHEMBL10693991

SCHEMBL10693991

COc1ccc(SC)cc1-c1nc2ccc(C(C)(C)CN)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 12/20 0.45
▸ CHEK2 O96017 1/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PDE5A O76074 1/20 0.36

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
SCHEMBL10575959 0.92 AMY1A (0.38) AMY1ACHEK2PDE5A
SCHEMBL10580044 0.92 AMY1A (0.41) AMY1ACHEK2F2F10PLG
SCHEMBL10576214 0.84 AMY1A (0.41) AMY1ACHEK2ALOX5EPHX2
SCHEMBL10576332 0.83 AMY1A (0.38) AMY1ACHEK2PDE5A
SCHEMBL10579204 0.79 ALOX5 (0.62) AMY1ACHEK2ALOX5EPHX2NPBWR1
SCHEMBL10574081 0.79 AMY1A (0.56) AMY1ANPBWR1
SCHEMBL10696818 0.77 NR1I2 (0.36) AMY1ACHEK2
SCHEMBL10572968 0.77 NPC1 (0.35) AMY1ACHEK2
SCHEMBL10575337 0.76 AMY1A (0.37) AMY1ACHEK2PDE5A
SCHEMBL10695069 0.76 NPC1 (0.40) AMY1ACHEK2PDE5A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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