SCHEMBL7112818

SCHEMBL7112818

CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)C=Cc2ccc(OC)cc2OC)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.51
PTGER3 P43115 3/20 0.51
LY96 Q9Y6Y9 1/20 0.50
ABCC9 O60706 1/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
HDAC8 Q9BY41 2/20 0.48
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
APP P05067 1/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGER1 P34995 2/20 0.44

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
SCHEMBL7112814 1.00 PTGER4 (0.51) PTGER4PTGER3LY96ABCC9ABCC8
SCHEMBL4256436 0.91 ABCC9 (0.59) PTGER4PTGER3LY96ABCC9ABCC8
SCHEMBL7113055 0.91 ABCC9 (0.59) PTGER4PTGER3LY96ABCC9ABCC8
SCHEMBL7107471 0.91 LY96 (0.52) PTGER4PTGER3LY96ABCC9ABCC8
SCHEMBL7107467 0.91 LY96 (0.52) PTGER4PTGER3LY96ABCC9ABCC8
SCHEMBL7114274 0.89 HDAC8 (0.49) PTGER4PTGER3ABCC9ABCC8KCNJ11
SCHEMBL7108290 0.89 LY96 (0.52) LY96ABCC9ABCC8KCNJ11HDAC8
SCHEMBL7114277 0.89 HDAC8 (0.49) PTGER4PTGER3ABCC9ABCC8KCNJ11
SCHEMBL7108288 0.89 LY96 (0.52) LY96ABCC9ABCC8KCNJ11HDAC8
SCHEMBL5578528 0.89 ABCC9 (0.53) LY96ABCC9ABCC8KCNJ11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1243730-C Cinnamoylaminoalkyl-substd. benzenesulfonamide derivs. AVENTIS PHARMA GMBH (DE) 2006-03-01 CN disclosed
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed