SCHEMBL3713619

SCHEMBL3713619

COCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1C[AsH]C(=O)NCc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.53
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
ANO2 Q9NQ90 1/20 0.35

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
SCHEMBL3104836 0.91 CNR1 (0.56) CNR1MAPTKMT2ACNR2TP53
SCHEMBL3110050 0.81 CNR1 (0.60) CNR1KMT2ACNR2TP53POLB
SCHEMBL3113229 0.81 CNR1 (0.55) CNR1KMT2ACNR2
SCHEMBL3103553 0.78 CNR1 (0.58) CNR1MAPTKMT2A
SCHEMBL3113188 0.77 PPARD (0.44) CNR1MAPTCNR2
SCHEMBL3114375 0.76 CNR1 (0.58) CNR1MAPTKMT2A
SCHEMBL3224422 0.75 CNR1 (0.52) CNR1KMT2ACNR2
SCHEMBL3111589 0.71 ROCK2 (0.36) CNR1CNR2
SCHEMBL13307940 0.70 CNR1 (1.00) CNR1
SCHEMBL23135761 0.69 KMT2A (0.62) MAPTKMT2A

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