SCHEMBL7148923

SCHEMBL7148923

COc1ccc(CNC(=O)c2ccc3[nH]c(=O)n(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
TP53 P04637 3/20 0.64
BACE1 P56817 1/20 0.64
ESR1 P03372 1/20 0.64
GAA P10253 6/20 0.63
MMP13 P45452 1/20 0.61
ALDH1A1 P00352 5/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTR3A P46098 1/20 0.59
HSD17B10 Q99714 3/20 0.58
GLA P06280 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CACNA1G O43497 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL6471343 0.95 MAPT (0.75) MAPTTP53BACE1ESR1GAA
SCHEMBL7023154 0.93 MAPT (0.65) MAPTTP53BACE1ESR1GAA
SCHEMBL7097120 0.90 MAPT (0.62) MAPTTP53BACE1ESR1GAA
SCHEMBL7624753 0.89 MAPT (0.61) MAPTTP53BACE1ESR1GAA
SCHEMBL6244847 0.89 KDM4E (0.66) MAPTTP53ESR1GAAALDH1A1
SCHEMBL6530068 0.89 MAPT (0.58) MAPTTP53BACE1ESR1GAA
SCHEMBL6234637 0.87 MAPT (0.69) MAPTTP53BACE1ESR1GAA
SCHEMBL6243893 0.86 MAPT (0.71) MAPTTP53BACE1GAAALDH1A1
SCHEMBL6514955 0.84 MAPT (0.71) MAPTTP53BACE1GAAALDH1A1
SCHEMBL6510914 0.84 KDM4E (0.65) MAPTTP53BACE1ESR1GAA

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