SCHEMBL6807475

SCHEMBL6807475

COc1nc(-c2ccccc2)n(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2S(C)(=O)=O)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAS1 P04201 1/20 0.42
P2RX3 P56373 5/20 0.36
F10 P00742 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL7719155 0.97 MAS1 (0.40) MAS1P2RX3F10TRPV1PTGES2
SCHEMBL5175377 0.91 PTGS2 (0.36) MAS1P2RX3F10TRPV1ALOX5AP
SCHEMBL7719158 0.90 MAS1 (0.40) MAS1PTGES2
SCHEMBL5173993 0.88 TRPV1 (0.36) F10TRPV1ALOX5APFEN1
SCHEMBL6810564 0.87 MAS1 (0.42) MAS1
SCHEMBL7610956 0.85 MAS1 (0.52) MAS1
SCHEMBL5172814 0.81 F10 (0.39) MAS1P2RX3F10TRPV1ALOX5AP
SCHEMBL7616191 0.81 TP53 (0.37) MAS1P2RX3F10TRPV1PTGES2
SCHEMBL5172604 0.80 MAS1 (0.36) MAS1P2RX3F10TRPV1PTGES2
SCHEMBL5174491 0.78 MAS1 (0.36) MAS1

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-1097140-B1 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6372917-B1 INHIBIT CELLULAR SODIUM ION-DEPENDENT CHLORIDE ION/BICARBONATE-EXCHANGE MECHANISM OR SODIUM/BICARBONATE SYMPORTER; TREATMENT OF ALL ACUTE OR CHRONIC DAMAGE CAUSED BY ISCHEMIA OR ILLNESSES INDUCED THEREBY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-16 US disclosed
EP-1097140-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP disclosed
WO-2000003994-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed