SCHEMBL4113537

SCHEMBL4113537

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.38
KCNH2 Q12809 5/20 0.38
NPC1 O15118 2/20 0.37
THRB P10828 1/20 0.37
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
MEN1 O00255 1/20 0.34
EPHX2 P34913 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNA3 P22001 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCND3 Q9UK17 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
SCHEMBL4118325 0.91 KCNA5 (0.42) KCNA5KCNH2NPC1THRBMMP1
SCHEMBL4105235 0.89 KCNA5 (0.39) KCNA5KCNH2NPC1THRBMMP1
SCHEMBL3917734 0.88 KCNA5 (0.41) KCNA5KCNH2NPC1THRBMMP1
SCHEMBL3915793 0.84 KCNA5 (0.46) KCNA5KCNH2THRBMMP1MMP9
SCHEMBL3914495 0.84 KCNA5 (0.50) KCNA5KCNH2THRBMMP1MMP9
SCHEMBL3917221 0.81 KCNA5 (0.45) KCNA5KCNH2MMP1MMP9MMP13
SCHEMBL4131059 0.81 NPC1 (0.44) KCNA5NPC1MMP1MMP9MMP13
SCHEMBL3914441 0.80 KCNA5 (0.50) KCNA5KCNH2THRBMMP1MMP9
SCHEMBL3915828 0.80 KCNA5 (0.48) KCNA5KCNH2THRBMMP1MMP9
SCHEMBL3916079 0.80 KCNA5 (0.48) KCNA5KCNH2THRBMMP1MMP9

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-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