SCHEMBL2204592

SCHEMBL2204592

NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.67
KCNK3 O14649 1/20 0.63
KCNK5 O95279 1/20 0.63
KCNK17 Q96T54 1/20 0.63
KCNK9 Q9NPC2 1/20 0.63
GSK3B P49841 1/20 0.47
AKR1B1 P15121 1/20 0.47
MET P08581 1/20 0.44
MAPT P10636 2/20 0.43
P2RX7 Q99572 1/20 0.43
HPGD P15428 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 1/20 0.42
PDE10A Q9Y233 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK14 Q16539 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL2211245 0.93 KCNA5 (0.63) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434391 0.84 KCNA5 (0.83) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434042 0.82 KCNA5 (0.71) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434044 0.82 KCNA5 (0.74) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434396 0.81 KCNA5 (0.79) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434333 0.81 KCNA5 (0.69) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL2208881 0.81 KCNA5 (0.70) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL5697841 0.81 KCNA5 (0.53) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL2208671 0.80 KCNA5 (1.00) KCNA5KCNK3KCNK5KCNK17KCNK9
SCHEMBL12434357 0.80 KCNA5 (0.66) KCNA5KCNK3KCNK5KCNK17KCNK9

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-7982045-B2 2′-substituted 1,1′-biphenyl-2-carboxamides, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-19 US disclosed