SCHEMBL806827

SCHEMBL806827

COc1ccc(Nc2nc(C(=O)N3CCc4ccc(N)cc4C3)cs2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.78
MAPK1 P28482 1/20 0.78
ATM Q13315 1/20 0.78
TRPC3 Q13507 7/20 0.78
TRPC6 Q9Y210 7/20 0.78
MDM2 Q00987 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
AMY1A P0DUB6 4/20 0.49
MAPT P10636 1/20 0.46
SYK P43405 1/20 0.45
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.44
TMPRSS2 O15393 1/20 0.44

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
SCHEMBL789016 0.88 TRPC3 (1.00) GAAMAPK1ATMTRPC3TRPC6
SCHEMBL788828 0.78 TRPC3 (0.78) GAAMAPK1ATMTRPC3TRPC6
SCHEMBL10080529 0.74 TRPC3 (0.58) GAAMAPK1ATMTRPC3TRPC6
SCHEMBL27827048 0.73 AMY1A (0.67) GAATRPC3TRPC6MDM2L3MBTL1
SCHEMBL525597 0.71 CSNK2A1 (0.65) GAATRPC3TRPC6MDM2L3MBTL1
SCHEMBL807013 0.70 TRPC3 (1.00) GAAMAPK1ATMTRPC3TRPC6
SCHEMBL798510 0.69 TRPC3 (0.67) GAAMAPK1ATMTRPC3TRPC6
SCHEMBL5524312 0.67 CA1 (0.72) MAPK1MAPT
SCHEMBL31565935 0.67 SCN9A (0.47) GAAMAPK1ATMTRPC3TRPC6
SCHEMBL806828 0.67 TRPC3 (0.64) GAAMAPK1ATMTRPC3TRPC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed