SCHEMBL788828

SCHEMBL788828

COc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 7/20 0.78
TRPC6 Q9Y210 7/20 0.78
L3MBTL1 Q9Y468 2/20 0.69
MDM2 Q00987 1/20 0.69
GAA P10253 3/20 0.67
ATM Q13315 2/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
GRM5 P41594 1/20 0.55
AMY1A P0DUB6 2/20 0.54

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
SCHEMBL789873 0.87 TRPC3 (0.81) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL789016 0.82 TRPC3 (1.00) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL10087858 0.80 TRPC3 (0.58) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL27827048 0.80 AMY1A (0.67) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL525597 0.80 CSNK2A1 (0.65) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL806827 0.78 GAA (0.78) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL14317600 0.78 ATP4A (0.55) TRPC3TRPC6GAAMAPK1KMT2A
SCHEMBL789091 0.76 TRPC3 (0.78) TRPC3TRPC6L3MBTL1MDM2GAA
SCHEMBL790315 0.75 MAPT (0.64) TRPC3TRPC6GAAMAPK1KMT2A
SCHEMBL789564 0.74 TRPC3 (1.00) TRPC3TRPC6L3MBTL1MDM2GAA

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO claimed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed