SCHEMBL3914495

SCHEMBL3914495

COc1ccc(CCN2C(=O)NCC2(NS(C)(=O)=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.50
KCNH2 Q12809 8/20 0.50
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNA3 P22001 1/20 0.39
CACNA1D Q01668 1/20 0.39
KCNA1 Q09470 1/20 0.39
KCND3 Q9UK17 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BMP1 P13497 2/20 0.38
F10 P00742 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
HTR7 P34969 1/20 0.36
NOX4 Q9NPH5 1/20 0.36

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
SCHEMBL3917221 0.92 KCNA5 (0.45) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3917734 0.91 KCNA5 (0.41) KCNA5KCNH2THRBCYP3A4CYP2C9
SCHEMBL3914441 0.91 KCNA5 (0.50) KCNA5KCNH2THRBCYP3A4CYP2C9
SCHEMBL3925362 0.88 KCNA5 (0.52) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3916954 0.87 KCNA5 (0.48) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3925128 0.87 KCNA5 (0.41) KCNA5KCNH2THRBCYP3A4CYP2C9
SCHEMBL3918962 0.86 KCNA5 (0.45) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3916352 0.86 KCNA5 (0.49) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3919013 0.85 KCNA5 (0.52) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL3925233 0.85 KCNA5 (0.52) KCNA5KCNH2CYP3A4CYP2C9KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP claimed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO claimed
EP-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO disclosed