SCHEMBL1381975

SCHEMBL1381975

CS(=O)(=O)Nc1cccc(CC(c2ccc(F)cc2)(c2ccc(C#N)cc2)c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCND3 Q9UK17 1/20 0.45
HSD11B1 P28845 8/20 0.41
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
SLC22A12 Q96S37 2/20 0.38
SCN9A Q15858 1/20 0.37
CTPS1 P17812 1/20 0.35
KCNH2 Q12809 1/20 0.34
PTGER2 P43116 2/20 0.34

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
SCHEMBL1378033 0.94 KCNA5 (0.43) KCNA5KCNE1KCNQ1KCND3HSD11B1
SCHEMBL1378598 0.92 KCNA5 (0.51) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1378137 0.89 HSD11B1 (0.38) KCNA5KCNE1KCNQ1KCND3HSD11B1
SCHEMBL3819011 0.87 HSD11B1 (0.39) KCNA5KCNE1KCNQ1KCND3HSD11B1
SCHEMBL1378202 0.85 PTGER2 (0.44) KCNA5KCNE1KCNQ1KCND3HSD11B1
SCHEMBL3811774 0.84 KCNA5 (0.45) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL3814266 0.83 KCNA5 (0.43) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL3814798 0.83 CYP19A1 (0.43) KCNA5KCNE1KCNQ1KCND3CYP3A4
SCHEMBL1382204 0.79 SMN1; SMN2 (0.42) HSD11B1CYP3A4CYP3A5
SCHEMBL1380354 0.78 SCN9A (0.41) KCNA5KCNE1KCNQ1KCND3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4719744-B2 2011-07-06 JP claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP claimed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP claimed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1776355-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-08-12 EP disclosed
EP-1776355-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-04-25 EP disclosed
WO-2006014877-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed