SCHEMBL12366376

SCHEMBL12366376

[C-]#[N+]c1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccc(C(=O)O)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MAPK8 P45983 3/20 0.39
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 0.38
APOBEC3A P31941 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 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
SCHEMBL12366505 0.92 CNR2 (0.39) CNR2KDM4EKMT2ADCTPP1CNR1
SCHEMBL12366238 0.90 DCTPP1 (0.42) RXRACNR2KDM4EALDH1A1DCTPP1
SCHEMBL12366212 0.90 CNR1 (0.44) RXRAKDM4EALDH1A1RECQLSMN1; SMN2
SCHEMBL12366308 0.88 RXRA (0.43) RXRAKDM4EALDH1A1USP2MAPT
SCHEMBL12366275 0.88 CFTR (0.42) RXRAKDM4EDCTPP1CNR1HPGD
SCHEMBL12366320 0.88 KDM4E (0.47) RXRACNR2KDM4EALDH1A1MEN1
SCHEMBL12366245 0.87 CNR1 (0.43) RXRACNR2KDM4EALDH1A1MEN1
SCHEMBL12366313 0.87 CNR1 (0.38) RXRAMAPK8KDM4EALDH1A1MEN1
SCHEMBL12366324 0.85 NR1H2 (0.49) RXRAKDM4EMEN1KMT2ADCTPP1
SCHEMBL12366395 0.85 CCR2 (0.44) KDM4EDCTPP1CNR1HPGDITGB1

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