SCHEMBL7325804

SCHEMBL7325804

N#Cc1ccc(COc2ccc([N+](=O)[O-])c(C=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MAOB P27338 7/20 0.47
BACE1 P56817 1/20 0.46
MAOA P21397 4/20 0.45
CYP3A4 P08684 1/20 0.45
RAB9A P51151 1/20 0.44
SMPD1 P17405 1/20 0.44
CYP19A1 P11511 1/20 0.43
MERTK Q12866 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
SCHEMBL1663248 0.86 MAPT (0.59) MAPTMAOBMAOACYP3A4RAB9A
SCHEMBL1646241 0.84 NPC1 (0.58) MAPTBACE1CYP3A4RAB9ACYP19A1
SCHEMBL6927262 0.84 MAOB (0.56) MAPTMAOBBACE1MAOARAB9A
SCHEMBL8943775 0.84 MAOB (0.56) MAPTMAOBBACE1MAOA
SCHEMBL31053128 0.83 BACE1 (0.61) MAOBBACE1MAOARAB9A
SCHEMBL1646385 0.83 BACE1 (0.61) MAOBBACE1MAOARAB9A
SCHEMBL1647995 0.81 APP (0.47) MAPTMAOBBACE1MAOARAB9A
SCHEMBL810308 0.80 VCAM1 (0.61) MAPTMAOBMAOACYP3A4RAB9A
SCHEMBL7327420 0.80 MAPT (0.52) MAPTMAOBMAOARAB9ASMPD1
SCHEMBL5756433 0.78 VCAM1 (0.56) MAPTCYP3A4MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed