SCHEMBL7114277

SCHEMBL7114277

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.49
PTGER4 P35408 3/20 0.48
PTGER3 P43115 3/20 0.48
ACHE P22303 1/20 0.44
MAPT P10636 4/20 0.44
APP P05067 1/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BACE1 P56817 1/20 0.42
PTGER1 P34995 2/20 0.42
PTGER2 P43116 1/20 0.42

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
SCHEMBL7114274 1.00 HDAC8 (0.49) HDAC8PTGER4PTGER3ACHEMAPT
SCHEMBL7112814 0.89 PTGER4 (0.51) HDAC8PTGER4PTGER3ACHEMAPT
SCHEMBL7112818 0.89 PTGER4 (0.51) HDAC8PTGER4PTGER3ACHEMAPT
SCHEMBL7107471 0.80 LY96 (0.52) PTGER4PTGER3ACHEMAPTABCC9
SCHEMBL7107467 0.80 LY96 (0.52) PTGER4PTGER3ACHEMAPTABCC9
SCHEMBL4256436 0.80 ABCC9 (0.59) PTGER4PTGER3ACHEMAPTABCC9
SCHEMBL7113055 0.80 ABCC9 (0.59) PTGER4PTGER3ACHEMAPTABCC9
SCHEMBL7108290 0.79 LY96 (0.52) HDAC8ACHEMAPTABCC9ABCC8
SCHEMBL7108288 0.79 LY96 (0.52) HDAC8ACHEMAPTABCC9ABCC8
SCHEMBL5578528 0.79 ABCC9 (0.53) HDAC8ACHEMAPTABCC9ABCC8

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 6 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
CN-1360571-A Cinnamoylaminoalkyl-substd. benzenesulfonamide derivs. AVENTIS PHARMA GMBH (DE) 2002-07-24 CN 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