SCHEMBL1019952

SCHEMBL1019952

COCNC(=O)c1c[nH]c2ccc(Cc3cccc(Cl)c3)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.53
GABRB2 P47870 3/20 0.53
GABRB1 P18505 1/20 0.53
GABRA3 P34903 1/20 0.53
LMNA P02545 2/20 0.51
PYGL P06737 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SNCA P37840 3/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL17338552 0.89 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3LMNA
SCHEMBL17338628 0.86 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3SNCA
SCHEMBL1020940 0.85 LMNA (0.65) GABRA1GABRB2GABRB1GABRA3LMNA
SCHEMBL1024113 0.82 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL1020625 0.82 LMNA (0.48) GABRA1GABRB2GABRB1GABRA3LMNA
SCHEMBL1020536 0.81 LMNA (0.48) GABRA1GABRB2GABRB1GABRA3LMNA
SCHEMBL17338625 0.81 GABRA1 (0.80) GABRA1GABRB2GABRB1GABRA3HSD17B10
SCHEMBL17338542 0.78 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3LMNA
SCHEMBL6205914 0.76 POLB (0.57) LMNAKDM4EHSD17B10POLBMEN1
SCHEMBL17338622 0.76 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3LMNA

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