SCHEMBL12366278

SCHEMBL12366278

[C-]#[N+]c1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
FABP4 P15090 2/20 0.40
FEN1 P39748 1/20 0.40
MAPK10 P53779 1/20 0.40
PPARG P37231 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
THRB P10828 1/20 0.39
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL12366226 0.94 RGS4 (0.43) MAPTTP53LMNARXFP1RGS4
SCHEMBL12366212 0.91 CNR1 (0.44) LMNARXFP1RGS4RGS8KDM4E
SCHEMBL12366286 0.90 MAPT (0.45) MAPTTP53LMNARXFP1KDM4E
SCHEMBL12366396 0.89 RXRA (0.41) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL12366275 0.89 CFTR (0.42) RGS4RGS8KDM4EFABP4PPARG
SCHEMBL12366441 0.88 LMNA (0.43) MAPTLMNARXFP1ALDH1A1FEN1
SCHEMBL12366241 0.88 CNR1 (0.42) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL12366238 0.86 DCTPP1 (0.42) RXFP1KDM4EALDH1A1PPARG
SCHEMBL12366220 0.86 CNR1 (0.39) TP53RXFP1RGS4RGS8KDM4E
SCHEMBL12366421 0.85 RXRA (0.39) RXFP1KDM4EALDH1A1PPARG

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-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed