SCHEMBL1020536

SCHEMBL1020536

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRB1 P18505 1/20 0.45
GABRA3 P34903 1/20 0.45
POLB P06746 2/20 0.44
BACE1 P56817 1/20 0.44
ADORA2A P29274 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1023333 0.91 GABRA1 (0.48) KDM4EGABRA1GABRB2GABRB1GABRA3
SCHEMBL1020625 0.90 LMNA (0.48) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1023792 0.83 GABRA1 (0.51) KDM4EGABRA1GABRB2GABRB1GABRA3
SCHEMBL1022414 0.83 GABRA1 (0.48) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1022302 0.82 GABRA1 (0.68) HSD17B10GABRA1GABRB2GABRB1GABRA3
SCHEMBL1082077 0.81 GABRA1 (0.49) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL1019952 0.81 GABRA1 (0.53) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1020940 0.79 LMNA (0.65) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1023774 0.79 GABRA1 (0.45) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1021755 0.78 GABRA1 (0.46) LMNAKDM4EGABRA1GABRB2GABRB1

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