SCHEMBL7423779

SCHEMBL7423779

N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)CC(=O)N3Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.62
ITGA2B P08514 17/20 0.62
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ITGA2 P17301 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TMPRSS2 O15393 1/20 0.42

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
SCHEMBL7420712 0.85 ITGB3 (0.64) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7363195 0.85 ITGB3 (0.55) ITGB3ITGA2BHDAC1HDAC2HDAC8
SCHEMBL8837116 0.85 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC2HDAC8
SCHEMBL7427864 0.84 ITGB3 (0.70) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7421820 0.84 ITGB3 (0.59) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7363175 0.84 ITGB3 (0.59) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8959426 0.83 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC2HDAC8
Acetic Acid SCHEMBL8837005 0.83 ITGB3 (0.68) ITGB3ITGA2BITGA2KDM4EALDH1A1
SCHEMBL7421352 0.82 ITGB3 (0.45) ITGB3ITGA2BHDAC1HDAC2HDAC8
SCHEMBL7363199 0.82 ITGB3 (0.49) ITGB3ITGA2BHDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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