SCHEMBL884928

SCHEMBL884928

CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccc(N)n1.N#Cc1ccc(C(Cc2cccnc2N2CCS(O)(O)c3ccccc32)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 2/20 0.38

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
SCHEMBL884927 0.93 KCNA5 (0.46) KCNA5KCNH2
SCHEMBL2063847 0.84 KCNA5 (0.39) KCNA5KCNH2
SCHEMBL2062703 0.77 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL884468 0.76 KCNA5 (0.79) KCNA5KCNH2
SCHEMBL2063848 0.76 KCNA5 (0.39) KCNA5KCNH2
SCHEMBL1367453 0.73 CYP3A4 (0.36)
SCHEMBL886792 0.72 KCNA5 (0.53) KCNA5KCNH2
SCHEMBL1368340 0.71 CYP11B1 (0.34) KCNA5KCNH2
SCHEMBL884617 0.69 KCNA5 (0.95) KCNA5KCNH2
SCHEMBL1366621 0.68 KCNA5 (0.31) KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed