SCHEMBL7112531

SCHEMBL7112531

CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)C=C(C)c2ccccc2)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.60
ABCC8 Q09428 1/20 0.60
KCNJ11 Q14654 1/20 0.60
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 5/20 0.45
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL7111815 0.92 ABCC9 (0.61) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL6191744 0.89 ABCC9 (0.66) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL4264927 0.85 MAPT (0.66) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7111310 0.85 MAPT (0.66) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7110369 0.84 MAPT (0.50) ALDH1A1SMN1; SMN2HPGDALOX12KMT2A
SCHEMBL7111813 0.83 ABCC9 (0.59) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7111814 0.83 ABCC9 (0.59) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7112525 0.82 ABCC9 (0.60) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL7112530 0.82 ABCC9 (0.60) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2
SCHEMBL4702222 0.80 ABCC9 (0.58) ABCC9ABCC8KCNJ11ALDH1A1SMN1; SMN2

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-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