SCHEMBL884597

SCHEMBL884597

c1cncc(C(Cc2cccnc2N2CCSc3ccccc32)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.44
KCNH2 Q12809 5/20 0.44
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GFER P55789 1/20 0.36
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33

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
SCHEMBL886468 0.91 KCNA5 (0.39) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884227 0.81 KCNA5 (0.47) KCNA5KCNH2ALDH1A1
SCHEMBL884568 0.80 KCNA5 (0.45) KCNA5KCNH2ALDH1A1MAPTKDM4E
SCHEMBL885030 0.80 KCNA5 (0.45) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2062758 0.79 KCNA5 (0.45) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2063380 0.79 KCNA5 (0.44) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL1367898 0.79 KDM4E (0.32) KCNA5ALDH1A1MAPTKDM4EGFER
SCHEMBL885762 0.78 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL2063804 0.78 KCNA5 (0.47) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884252 0.76 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3

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