SCHEMBL7324841

SCHEMBL7324841

CCOC(=O)CC(C)N1CC(=O)N(Cc2ccccc2)c2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 4/20 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
SCHEMBL7325707 0.92 MAPT (0.43) ITGB3ITGA2BCASP1CASP3CASP4
SCHEMBL7321744 0.87 ITGB3 (0.46) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL7328359 0.87 ITGB3 (0.43) ITGB3ITGA2BMAPTALDH1A1KMT2A
SCHEMBL7331776 0.86 ITGB3 (0.57) ITGB3ITGA2BCASP1CASP3CASP4
SCHEMBL7324497 0.85 ITGB3 (0.46) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL7331716 0.84 ITGB3 (0.41) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL7324695 0.83 CASP3 (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7328993 0.83 MAPT (0.39) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL7330741 0.81 MAPT (0.44) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL7328698 0.80 ITGB3 (0.49) ITGB3ITGA2BCASP1CASP3CASP4

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-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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed