SCHEMBL3915840

SCHEMBL3915840

COc1ccc(CCN2C(=O)NC[C@@]2(NS(=O)(=O)CC(=O)NCC2CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
MMP13 P45452 3/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
KCNA5 P22460 2/20 0.36
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
CDK2 P24941 1/20 0.36
CDK16 Q00536 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3918287 1.00 GSK3B (0.39) GSK3BMMP13MMP1MMP9KCNA5
SCHEMBL3915644 1.00 GSK3B (0.39) GSK3BMMP13MMP1MMP9KCNA5
SCHEMBL3915836 0.95 KCNA5 (0.41) GSK3BMMP13MMP1MMP9KCNA5
SCHEMBL3925882 0.88 CYP3A4 (0.42) MMP13MMP1MMP9KCNA5ALDH1A1
SCHEMBL3919270 0.86 CYP3A4 (0.45) MMP13MMP1MMP9MMP8MMP12
SCHEMBL3916353 0.85 MMP13 (0.39) GSK3BMMP13MMP1MMP9KCNA5
SCHEMBL3915076 0.84 KCNA5 (0.42) MMP13MMP1MMP9KCNA5
SCHEMBL3925144 0.82 KCNA5 (0.45) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3925782 0.82 KCNA5 (0.43) MMP13MMP1MMP9KCNA5MMP8
SCHEMBL3915793 0.81 KCNA5 (0.46) GSK3BMMP13MMP1MMP9KCNA5

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