SCHEMBL7359240

SCHEMBL7359240

N=C(N)c1ccc(C=Cc2ccc3c(c2)C(=O)N(CCC(=O)O)CC(=O)N3C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.56
ITGA2B P08514 17/20 0.56
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLK1 P06870 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7359393 0.89 ITGB3 (0.61) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8836989 0.86 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359659 0.85 ITGB3 (0.74) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7426008 0.85 ITGB3 (0.63) ITGB3ITGA2BKDM4E
SCHEMBL7359242 0.84 ITGB3 (0.51) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7357229 0.83 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7361182 0.82 ITGB3 (0.44) ITGB3ITGA2BKDM4EALOX15PLG
SCHEMBL7363705 0.82 ITGB3 (0.59) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7362727 0.81 ITGB3 (0.63) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7363195 0.79 ITGB3 (0.55) ITGB3ITGA2BHDAC1HDAC6

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 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