SCHEMBL7018076

SCHEMBL7018076

COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c(S(N)(=O)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.71
ABCC9 O60706 1/20 0.58
ABCC8 Q09428 1/20 0.58
KCNJ11 Q14654 1/20 0.58
DNMT3A Q9Y6K1 1/20 0.57

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
SCHEMBL7023830 0.94 NLRP3 (0.71) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7018104 0.91 NLRP3 (0.68) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7027188 0.90 NLRP3 (0.67) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7026647 0.90 NLRP3 (0.69) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7023303 0.89 NLRP3 (0.65) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL4654433 0.87 NLRP3 (0.78) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7024917 0.86 ABCC9 (0.79) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7023489 0.85 NLRP3 (0.56) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7023486 0.85 NLRP3 (0.56) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL7019461 0.84 NLRP3 (0.74) NLRP3ABCC9ABCC8KCNJ11DNMT3A

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
CN-1330632-C 2, 5-substituted benzenesulfonylureas and-thioureas, processes for their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA GMBH (DE) 2007-08-08 CN disclosed
EP-1100775-B1 2,5-SUBSTITUTED BENZOLSULFONYLUREAS AND THIOUREAS, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA GMBH (DE) 2003-12-17 EP disclosed
US-6410573-B1 CARDIOVASCULAR DISEASES; POTASSIUM CHANNEL MODULATOR AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-25 US disclosed
CN-1314884-A 2,5-substituted benzoluslfonylureas and thioureas, methods for production thereof, use thereof and pharamceutical preparations containing the same AVENTIS PHARMA GMBH (DE) 2001-09-26 CN disclosed