SCHEMBL7104616

SCHEMBL7104616

CCOC(=O)c1ccc(C(C)n2c(=O)[nH]c3ccc(C(=O)NCc4ccncc4)cc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
B3GNT2 Q9NY97 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
MMP13 P45452 2/20 0.42
LMNA P02545 1/20 0.42
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL6233923 0.92 NAMPT (0.46) NAMPTGAAKMT2AALDH1A1MAPT
SCHEMBL6432942 0.89 MAPK1 (0.46) GAAALDH1A1MAPTB3GNT2SMN1; SMN2
SCHEMBL27605972 0.88 B3GNT2 (0.44) GAAKMT2AALDH1A1MAPTB3GNT2
SCHEMBL6232314 0.86 B3GNT2 (0.46) GAAKMT2AALDH1A1MAPTB3GNT2
SCHEMBL7629865 0.85 MAPK1 (0.43) GAAKMT2AALDH1A1MAPTB3GNT2
SCHEMBL6231298 0.83 RXFP1 (0.50) GAAKMT2AALDH1A1MAPTB3GNT2
SCHEMBL6218995 0.82 MEN1 (0.54) GAAKMT2AALDH1A1MAPTB3GNT2
SCHEMBL7624469 0.82 MEN1 (0.50) GAAKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL7021536 0.81 B3GNT2 (0.45) NAMPTGAAKMT2AALDH1A1MAPT
SCHEMBL6232952 0.80 MAPT (0.47) GAAKMT2AALDH1A1MAPTL3MBTL1

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