SCHEMBL1019977

SCHEMBL1019977

O=C(O)c1ccccc1C(=O)c1c[nH]c2ccc(Cc3cccc(Br)n3)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.48
GABRB2 P47870 12/20 0.48
GABRB1 P18505 1/20 0.47
GABRA3 P34903 1/20 0.47
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.39

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
SCHEMBL1023792 0.92 GABRA1 (0.51) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL1082077 0.90 GABRA1 (0.49) GABRA1GABRB2GABRB1GABRA3ADORA2A
SCHEMBL1023774 0.89 GABRA1 (0.45) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1022414 0.89 GABRA1 (0.48) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1021755 0.88 GABRA1 (0.46) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL1023670 0.88 GABRA1 (0.47) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1082654 0.88 GABRA1 (0.45) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1022302 0.80 GABRA1 (0.68) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1022218 0.79 GABRA1 (0.54) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL1020536 0.78 LMNA (0.48) GABRA1GABRB2GABRB1GABRA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed