SCHEMBL3916353

SCHEMBL3916353

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.39
MMP1 P03956 3/20 0.39
MMP9 P14780 3/20 0.39
KCNA5 P22460 5/20 0.39
ADAM17 P78536 2/20 0.37
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 3/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
BMP1 P13497 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL3925782 0.94 KCNA5 (0.43) MMP13MMP1MMP9KCNA5ADAM17
SCHEMBL3925882 0.86 CYP3A4 (0.42) MMP13MMP1MMP9KCNA5ADAM17
SCHEMBL3919270 0.85 CYP3A4 (0.45) MMP13MMP1MMP9MMP8MMP12
SCHEMBL3915840 0.85 GSK3B (0.39) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3918287 0.85 GSK3B (0.39) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3915644 0.85 GSK3B (0.39) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3915793 0.84 KCNA5 (0.46) MMP13MMP1MMP9KCNA5ADAM17
SCHEMBL3925144 0.84 KCNA5 (0.45) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3918282 0.84 KCNA5 (0.40) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3917221 0.83 KCNA5 (0.45) MMP13MMP1MMP9KCNA5KCNH2

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