SCHEMBL7019254

SCHEMBL7019254

N#Cc1ccc(CCn2c(=O)[nH]c3ccc(C(=O)O)cc3c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
GAA P10253 7/20 0.48
HSD17B10 Q99714 6/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 3/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
B3GNT2 Q9NY97 1/20 0.41

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
SCHEMBL7020296 0.87 MAPT (0.57) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL6238938 0.85 KMT2A (0.56) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL6431684 0.85 MAPT (0.52) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL7052320 0.83 PTPN5 (0.55) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL7634269 0.81 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL7012169 0.79 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL7191192 0.76 ALDH1A1 (0.60) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL6218489 0.75 HPGD (0.65) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL6247549 0.75 MAPT (0.57) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL31160880 0.74 KDM4E (0.45) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2

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 claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed