SCHEMBL8435933

SCHEMBL8435933

CCOC(=O)CNc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MAPT P10636 9/20 0.59
MEN1 O00255 4/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 3/20 0.57
KDM4E B2RXH2 1/20 0.55
CDK2 P24941 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.54
TRPA1 O75762 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PLA2G1B P04054 1/20 0.53

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
SCHEMBL12760933 0.88 KMT2A (0.65) KMT2AMAPTMEN1GAALMNA
SCHEMBL29208551 0.85 LMNA (0.59) KMT2AMAPTMEN1GAALMNA
SCHEMBL3597798 0.85 MAPT (0.74) KMT2AMAPTGAALMNAKDM4E
SCHEMBL4211532 0.83 KMT2A (0.72) KMT2AMAPTMEN1GAALMNA
SCHEMBL17505169 0.80 KMT2A (0.77) KMT2AMAPTMEN1GAALMNA
SCHEMBL8542184 0.78 GLA (0.65) KMT2AMAPTMEN1GAALMNA
SCHEMBL28288806 0.77 KMT2A (0.71) KMT2AMAPTMEN1GAALMNA
SCHEMBL3843127 0.77 KMT2A (0.71) KMT2AMAPTMEN1GAALMNA
SCHEMBL4209793 0.76 MAPT (0.74) KMT2AMAPTMEN1GAALMNA
SCHEMBL11318826 0.76 KMT2A (0.70) KMT2AMAPTMEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001831-A Process for producing quinazoline derivatives CLARIANT GMBH (DE) 1999-12-14 US disclosed
EP-0847392-B1 PROCESS FOR PRODUCING QUINAZOLINE DERIVATIVES CLARIANT GMBH (DE) 1999-12-08 EP disclosed
CN-1194639-A Quinazoline derivatives and their use as anti-inflammatory agents CORIEN CO LTD (DE) 1998-09-30 CN disclosed
EP-0847392-A1 PROCESS FOR PRODUCING QUINAZOLINE DERIVATIVES Clariant GmbH (DE) 1998-06-17 EP disclosed
WO-1997008154-A1 PROCESS FOR PRODUCING QUINAZOLINE DERIVATIVES CLARIANT GMBH (DE) 1997-03-06 WO disclosed