SCHEMBL12366286

SCHEMBL12366286

[C-]#[N+]c1c(C(F)(F)F)cc(-c2cccc(C)c2)n(Cc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 3/20 0.42
ICMT O60725 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL12366256 0.94 POLB (0.38) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL12366288 0.91 MDM2 (0.41)
SCHEMBL12366233 0.91 CNR1 (0.42) MAPTTP53ALDH1A1KDM4EGAA
SCHEMBL12366418 0.90 MAPT (0.42) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL12366278 0.90 MAPT (0.45) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL12366472 0.89 LMNA (0.45) MAPTTP53POLBALDH1A1LMNA
SCHEMBL12366740 0.89 PTGS2 (0.35) MAPTTP53ICMTPOLBLMNA
SCHEMBL12366241 0.89 CNR1 (0.42) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL12366250 0.89 MAPT (0.40) MAPTTP53
SCHEMBL12366465 0.88 MDM2 (0.36) MAPTTP53POLBGRIN1GRIN2B

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