SCHEMBL2824337

SCHEMBL2824337

CC(=O)c1c(N(C)C)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.65
FABP5 Q01469 7/20 0.65
FABP3 P05413 5/20 0.65
CYP2C9 P11712 2/20 0.65
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 3/20 0.52
PLA2G2A P14555 1/20 0.52
MAP2 P11137 1/20 0.51
DHODH Q02127 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL14916995 0.85 FABP4 (0.80) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL2820951 0.84 FABP4 (0.82) FABP4FABP5FABP3NPSR1KDM4E
SCHEMBL14917210 0.81 FABP4 (0.67) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL14916408 0.79 FABP4 (1.00) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL14917028 0.79 FABP4 (0.69) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL14916660 0.79 FABP4 (0.62) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL14916906 0.79 FABP4 (0.61) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL14917296 0.79 FABP4 (0.58) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL21083000 0.77 FABP4 (1.00) FABP4FABP5FABP3CYP2C9NPSR1
SCHEMBL2824339 0.77 FABP4 (0.51) FABP4FABP5FABP3CYP2C9NPSR1

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
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed