SCHEMBL807014

SCHEMBL807014

Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 10/20 0.73
TRPC6 Q9Y210 10/20 0.73
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DHODH Q02127 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MDM2 Q00987 1/20 0.46
NAMPT P43490 1/20 0.44
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2 P10415 1/20 0.42
BAD Q92934 1/20 0.42

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
SCHEMBL807009 0.89 TRPC3 (0.69) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL23771823 0.84 TRPC3 (1.00) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL807013 0.81 TRPC3 (1.00) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10080528 0.77 RAB9A (0.58) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10080531 0.77 TRPC3 (0.58) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10080530 0.77 TRPC3 (0.63) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10080527 0.76 TRPC3 (0.66) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10087862 0.76 TRPC3 (0.60) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL806599 0.74 TRPC3 (0.58) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL807012 0.73 TRPC3 (0.62) TRPC3TRPC6ALDH1A1NPC1HPGD

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