SCHEMBL7104610

SCHEMBL7104610

CCOC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccncc4)ccc3n(C)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.50
MAPT P10636 4/20 0.49
PIK3CA P42336 1/20 0.48
NAMPT P43490 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
S1PR3 Q99500 2/20 0.45
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.44
RORC P51449 1/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43
BACE1 P56817 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
SCHEMBL6730033 0.92 PARG (0.52) PARGMAPTPIK3CANAMPTALDH1A1
SCHEMBL6432931 0.88 MMP13 (0.55) PARGMAPTPIK3CAL3MBTL1ALDH1A1
SCHEMBL7017013 0.88 PARG (0.52) PARGMAPTPIK3CAL3MBTL1ALDH1A1
SCHEMBL27605971 0.88 PARG (0.48) PARGMAPTPIK3CAL3MBTL1ALDH1A1
SCHEMBL6735478 0.86 PARG (0.50) PARGMAPTPIK3CAL3MBTL1ALDH1A1
SCHEMBL7629854 0.84 PIK3CA (0.48) PARGMAPTPIK3CAL3MBTL1MAPK1
SCHEMBL6532934 0.83 PPARG (0.56) PARGMAPTGAAL3MBTL1ALDH1A1
SCHEMBL7624464 0.82 MMP13 (0.51) PARGMAPTKMT2AALDH1A1HDAC1
SCHEMBL6730256 0.82 MAPT (0.52) PARGMAPTKMT2AHDAC1RORC
SCHEMBL6463989 0.82 MMP13 (0.55) PARGMAPTKMT2AALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed