SCHEMBL807009

SCHEMBL807009

Cc1sc(Nc2ccc3c(c2)OCO3)nc1C(=O)N1CCc2ncccc2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 9/20 0.69
TRPC6 Q9Y210 9/20 0.69
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DHODH Q02127 1/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
PDGFRB P09619 1/20 0.39
LMNA P02545 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
KDR P35968 2/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL807014 0.89 TRPC3 (0.73) TRPC3TRPC6ALDH1A1NPC1TP53
SCHEMBL807015 0.77 TRPC3 (1.00) TRPC3TRPC6MAPTKDRRIPK1
SCHEMBL23771823 0.76 TRPC3 (1.00) TRPC3TRPC6ALDH1A1NPC1TP53
SCHEMBL10087862 0.72 TRPC3 (0.60) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL807013 0.71 TRPC3 (1.00) TRPC3TRPC6ALDH1A1NPC1TP53
SCHEMBL806599 0.71 TRPC3 (0.58) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL807011 0.70 TRPC3 (0.58) TRPC3TRPC6ALDH1A1NPC1TP53
SCHEMBL789220 0.69 MAPT (0.53) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10080528 0.67 RAB9A (0.58) TRPC3TRPC6ALDH1A1NPC1HPGD
SCHEMBL10080531 0.66 TRPC3 (0.58) 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