SCHEMBL4186497

SCHEMBL4186497

CCC(=O)NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.55
KCNH2 Q12809 5/20 0.47
EPHX2 P34913 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITGB3 P05106 3/20 0.44
ITGAV P06756 3/20 0.44
ITGA2B P08514 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1242273 0.88 KCNA5 (0.56) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL1242933 0.87 KCNA5 (0.52) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL1243357 0.87 KCNA5 (0.52) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL1243109 0.86 KCNA5 (0.51) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL1243112 0.86 KCNA5 (0.51) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL9902165 0.85 KCNA5 (0.58) KCNA5KCNH2SMN1; SMN2
SCHEMBL9901968 0.85 KCNA5 (0.58) KCNA5KCNH2SMN1; SMN2
SCHEMBL1242166 0.85 KCNA5 (0.50) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL1242364 0.85 KCNA5 (0.53) KCNA5KCNH2EPHX2LMNAHPGD
SCHEMBL1242944 0.85 KCNA5 (0.53) KCNA5KCNH2EPHX2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed