SCHEMBL3658814

SCHEMBL3658814

O=C(O)NCc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 5/20 0.41
KCNK10 P57789 5/20 0.41
DDR1 Q08345 1/20 0.37
GCGR P47871 2/20 0.37
GCG P01275 1/20 0.37
EPHX2 P34913 3/20 0.36
NR1H4 Q96RI1 1/20 0.36
CNR1 P21554 3/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NLRP1 Q9C000 1/20 0.35
PPARD Q03181 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3114225 0.92 DDR1 (0.38) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3113811 0.92 KCNK2 (0.40) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3115945 0.91 KCNK2 (0.39) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3102189 0.91 KCNK2 (0.39) KCNK2KCNK10GCGRGCGEPHX2
SCHEMBL3110314 0.90 DDR1 (0.38) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3111589 0.90 ROCK2 (0.36) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3102247 0.90 CNR1 (0.39) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3103535 0.89 KCNK2 (0.39) KCNK2KCNK10DDR1EPHX2NR1H4
SCHEMBL3116597 0.89 KCNK2 (0.40) KCNK2KCNK10DDR1GCGRGCG
SCHEMBL3106166 0.88 DDR1 (0.36) KCNK2KCNK10DDR1GCGRGCG

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