SCHEMBL806828

SCHEMBL806828

O=C(c1csc(Nc2ccccc2F)n1)N1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 4/20 0.64
TRPC6 Q9Y210 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MDM2 Q00987 1/20 0.64
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 4/20 0.53
ATM Q13315 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.50
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL10080529 0.88 TRPC3 (0.58) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL798510 0.87 TRPC3 (0.67) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL790485 0.81 NPC1 (0.55) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL10080530 0.79 TRPC3 (0.63) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL789016 0.78 TRPC3 (1.00) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL798484 0.76 NPC1 (0.55) TRPC3TRPC6L3MBTL1NPC1RAB9A
SCHEMBL807013 0.76 TRPC3 (1.00) TRPC3TRPC6L3MBTL1MDM2NPC1
SCHEMBL10080532 0.71 TRPC3 (0.54) TRPC3TRPC6NPC1RAB9AHPGD
SCHEMBL10080527 0.70 TRPC3 (0.66) TRPC3TRPC6NPC1RAB9AHPGD
SCHEMBL789085 0.70 NPC1 (0.98) TRPC3TRPC6L3MBTL1NPC1RAB9A

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