SCHEMBL1344378

SCHEMBL1344378

Cc1cccn(-c2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
NOTUM Q6P988 1/20 0.40
TRPC5 Q9UL62 3/20 0.39
CHRM5 P08912 2/20 0.39
PDE10A Q9Y233 2/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
MAOB P27338 1/20 0.38
MCHR1 Q99705 1/20 0.38
XDH P47989 1/20 0.38
OPRL1 P41146 1/20 0.38
GRM2 Q14416 1/20 0.38
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PHGDH O43175 1/20 0.37
TOP2A P11388 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
SCHEMBL1263985 0.82 NOTUM (0.40) KCNH2NOTUMTRPC5PDE10ADRD2
SCHEMBL1346658 0.82 ALDH1A1 (0.50) NOTUM
SCHEMBL8139457 0.82 KCNH2 (0.43) KCNH2NOTUMCHRM5PDE10ARXRA
SCHEMBL4282578 0.79 HTT (0.51) NOTUM
SCHEMBL9292198 0.77 HSP90AA1 (0.49) NOTUM
SCHEMBL747392 0.72 NOTUM (0.47) NOTUMDRD3
SCHEMBL1344141 0.72 TRPV1 (0.43)
SCHEMBL16474556 0.71 PDE10A (0.48) NOTUMTRPC5CHRM5PDE10AXDH
SCHEMBL13907450 0.71 MAPT (0.49) KCNH2
SCHEMBL16474565 0.70 PDE10A (0.42) TRPC5CHRM5PDE10AMCHR1RXRA

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
US-8063055-B2 Substituted pyridone compounds and methods of use AMGEN INC. (US) 2011-11-22 US disclosed