SCHEMBL884728

SCHEMBL884728

c1ccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 17/20 0.74
KCNH2 Q12809 7/20 0.68
KCNN4 O15554 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL885826 0.94 KCNA5 (0.74) KCNA5KCNH2KCNN4TSHRMAPK1
SCHEMBL885170 0.93 KCNA5 (0.68) KCNA5KCNH2KCNN4TSHRMAPK1
SCHEMBL884939 0.89 KCNA5 (0.64) KCNA5KCNH2
SCHEMBL884508 0.89 KCNA5 (0.64) KCNA5KCNH2SMN1; SMN2
SCHEMBL884536 0.89 KCNA5 (0.75) KCNA5KCNH2
SCHEMBL885216 0.85 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL884613 0.85 KCNA5 (0.63) KCNA5KCNH2
SCHEMBL885138 0.85 KCNA5 (1.00) KCNA5KCNH2KCNN4
SCHEMBL885908 0.85 KCNA5 (0.60) KCNA5KCNH2
SCHEMBL884767 0.85 KCNA5 (0.77) KCNA5KCNH2

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