SCHEMBL10853376

SCHEMBL10853376

COc1cc(S(C)(=O)=O)ccc1-c1nc2c[nH]c(=O)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ NPBWR1 P48145 1/20 0.44
▸ SCD O00767 6/20 0.43
▸ CBFB Q13951 1/20 0.41
▸ FADS1 O60427 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40

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
SCHEMBL10689222 0.90 KDM4E (0.43) SCDAMY1APDE5APDE3BPDE3A
SCHEMBL10685898 0.88 MAPT (0.46) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10970632 0.84 PDE2A (0.45) CDK4CCND1AMY1APDE5APDE3B
SCHEMBL9703335 0.83 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9702805 0.82 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9702854 0.81 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10852513 0.81 AMY1A (0.40) AMY1APDE5APDE3BPDE3A
SCHEMBL10849719 0.81 AMY1A (0.41) AMY1APDE5APDE3BPDE3A
SCHEMBL10677421 0.80 PDE5A (0.50) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9704494 0.79 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3

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-4568680-A LOWERRS BLOOD PRESSURE, HYPOTENSIVE ACTIVITY DR. KARL THOMAE GMBH (DE) 1986-02-04 — — US disclosed
EP-0149131-A2 Imidazo (4,5-c) pyridinones, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 — — EP disclosed
Send feedback