SCHEMBL1020940

SCHEMBL1020940

COCNC(=O)c1c[nH]c2ccc(Cc3ccc(OC)cc3)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
KDM4E B2RXH2 2/20 0.65
HSD17B10 Q99714 1/20 0.65
GABRA1 P14867 3/20 0.53
GABRB2 P47870 3/20 0.53
GABRB1 P18505 1/20 0.53
GABRA3 P34903 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
BACE1 P56817 1/20 0.51
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL17338557 0.88 LMNA (0.61) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL17338620 0.88 LMNA (0.61) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1019952 0.85 GABRA1 (0.53) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1022143 0.84 GABRA1 (0.61) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL16758472 0.82 GABRA1 (0.56) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL5671316 0.81 GABRA1 (0.60) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1021821 0.81 GABRA1 (0.80) HSD17B10GABRA1GABRB2GABRB1GABRA3
SCHEMBL1020625 0.80 LMNA (0.48) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL6229466 0.80 LMNA (0.69) LMNAKDM4EHSD17B10GABRA1GABRB2
SCHEMBL1020536 0.79 LMNA (0.48) LMNAKDM4EHSD17B10GABRA1GABRB2

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