SCHEMBL3711567

SCHEMBL3711567

CCc1cc(C(F)(F)F)ccc1C(=O)N(CC)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CN(C)CCC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SCN9A Q15858 6/20 0.33
GCGR P47871 3/20 0.32
CYP3A4 P08684 1/20 0.31
DPP4 P27487 1/20 0.31
CNR1 P21554 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
P2RX1 P51575 1/20 0.30
S1PR1 P21453 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
SCHEMBL3105773 0.80 PPARD (0.40) GCGRDPP4CNR1
SCHEMBL3711570 0.78 MALT1 (0.36) GCGRDPP4CNR1S1PR1
SCHEMBL3108345 0.73 PPARD (0.41) GCGRDPP4CNR1
SCHEMBL3113330 0.72 DDR1 (0.41) GCGRDPP4CNR1
SCHEMBL3100310 0.70 EPHX2 (0.40) GCGRDPP4CNR1
SCHEMBL3100296 0.66 DDR1 (0.45) GCGRDPP4CNR1
SCHEMBL3111104 0.65 DDR1 (0.44) GCGRDPP4CNR1
SCHEMBL3107244 0.65 PPARD (0.44) GCGRDPP4CNR1
SCHEMBL4032322 0.64 CRHR1 (0.38)
SCHEMBL3114614 0.64 DDR1 (0.44) CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209768-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-28 EP disclosed
WO-2009087285-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed