SCHEMBL12366502

SCHEMBL12366502

[C-]#[N+]c1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2cc(F)c(F)cc2F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
DPP4 P27487 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
GNRHR P30968 3/20 0.31
CYP3A4 P08684 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL12366306 0.90 RXRA (0.47) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL12366310 0.89 RXRA (0.59) RXRANR1H2NR1H3KDM4EGNRHR
SCHEMBL12366423 0.89 RXRA (0.49) RXRANR1H2NR1H3DPP4KDM4E
SCHEMBL12366501 0.89 RXRA (0.41) RXRANR1H2NR1H3MAPTCYP3A4
SCHEMBL12366272 0.87 RXRA (0.42) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL12366440 0.87 RXRA (0.43) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL12366392 0.87 RXRA (0.45) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL12366387 0.86 RXRA (0.46) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL12366421 0.86 RXRA (0.39) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL12366212 0.85 CNR1 (0.44) RXRANR1H2NR1H3KDM4EALDH1A1

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