SCHEMBL12366335

SCHEMBL12366335

[C-]#[N+]c1c(C(F)(F)F)cc(-c2cccc(C)c2)n(Cc2ccc(Br)cc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MDM2 Q00987 13/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL12366250 0.93 MAPT (0.40) MDM2MAPTCNR1ITGB1ITGA4
SCHEMBL12366472 0.91 LMNA (0.45) LMNAMDM2MAPTCNR1PTGS1
SCHEMBL12366288 0.91 MDM2 (0.41) MDM2
SCHEMBL12366330 0.91 RGS4 (0.41) LMNAMDM2MAPTTP53
SCHEMBL12366295 0.91 ITGB1 (0.39) MDM2MAPTCNR1ITGB1ITGA4
SCHEMBL12366493 0.91 MDM2 (0.36) MDM2MAPTCNR1ITGB1ITGA4
SCHEMBL12366342 0.91 TP53 (0.41) MDM2MAPTITGB1ITGA4ITGB7
SCHEMBL12366233 0.91 CNR1 (0.42) MDM2MAPTCNR1ITGB1ITGA4
SCHEMBL12366746 0.90 PTGS2 (0.36) MDM2MAPTITGB1ITGA4ITGB7
SCHEMBL12366256 0.90 POLB (0.38) LMNAMDM2MAPTCNR1PTGS1

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