SCHEMBL10579371

SCHEMBL10579371

COc1cc(S(C)(=O)=O)ccc1-c1nc2ccc(C(C)(C)CNC=O)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ NPBWR1 P48145 1/20 0.41
▸ SCD O00767 8/20 0.40
▸ CBFB Q13951 1/20 0.39
▸ FADS1 O60427 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.37

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
SCHEMBL10579306 0.93 CDK4 (0.38) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10576003 0.93 NR1I2 (0.42) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10577395 0.89 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10574102 0.86 AMY1A (0.50) NPBWR1AMY1A
SCHEMBL10575990 0.85 NR1I2 (0.42) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10580112 0.85 PDE5A (0.47) SCDAMY1A
SCHEMBL10575621 0.85 AMY1A (0.36) NPBWR1AMY1A
SCHEMBL10580157 0.83 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10577387 0.81 CDK4 (0.39) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10576002 0.80 HDAC6 (0.36) SCDAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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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