SCHEMBL7024403

SCHEMBL7024403

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
NLRP3 Q96P20 3/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL7024396 1.00 ABCC9 (0.53) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7357107 0.95 ABCC9 (0.56) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7357111 0.95 ABCC9 (0.56) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7023779 0.93 ABCC9 (0.53) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7023780 0.93 ABCC9 (0.53) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7022283 0.92 NLRP3 (0.55) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7022279 0.92 NLRP3 (0.55) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7023489 0.91 NLRP3 (0.56) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7023486 0.91 NLRP3 (0.56) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL7017020 0.91 ABCC9 (0.51) ABCC9ABCC8KCNJ11NLRP3DNMT3A

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-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
EP-1100775-A2 2,5-SUBSTITUTED BENZOLSULFONYLUREAS AND THIOUREAS, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME Hoechst Marion Roussel Deutschland GmbH (DE) 2001-05-23 EP disclosed
WO-2000003978-A2 2,5-SUBSTITUTED BENZOLSULFONYLUREAS AND THIOUREAS, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed