SCHEMBL7651319

SCHEMBL7651319

COCCOc1nc(-c2ccc(C(C)C)cc2)n(Cc2ccc(-c3ccccc3S(=O)(=O)NC#N)cc2)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAS1 P04201 1/20 0.42
CASR P41180 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRA P25101 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
SCHEMBL7648006 0.87 MAS1 (0.39) MAS1TP53GAAMAPTSMN1; SMN2
SCHEMBL5174969 0.86 MAS1 (0.37) MAS1EDNRA
SCHEMBL7611026 0.84 MAS1 (0.52) MAS1EDNRA
SCHEMBL5173780 0.82 MAS1 (0.36) MAS1
SCHEMBL5174491 0.81 MAS1 (0.36) MAS1
SCHEMBL7616183 0.80 HTT (0.42) MAS1TP53GAAMAPTSMN1; SMN2
SCHEMBL7614979 0.80 AGTR2 (0.41) MAS1EDNRA
SCHEMBL7616661 0.79 AGTR2 (0.38) EDNRA
SCHEMBL7616527 0.77 MAS1 (0.43) MAS1EDNRA
SCHEMBL7617888 0.74 MAS1 (0.37) MAS1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369236-B1 DRUG FOR MEDICAL DIAGNOSIS ANTIARRHYTHMIC PROPRIETIES AND CONTAIN A CARDIOPROTECTIVE COMPOUND. THEY CAN PREVENTIVELY INHIBIT OR STRONGLY REDUCE PATHOPHYSIOLOGIC PROCESSES UPON OCCURRENCE OF ISCHEMIC INJURIES, ESPECIALLY ISCHEMIC CARDIAC AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-1097141-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP disclosed
WO-2000003996-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed