SCHEMBL7330207

SCHEMBL7330207

CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(C#Cc3cccc(CNC(=N)N)c3)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
MDM2 Q00987 1/20 0.31
PTGES O14684 1/20 0.30
CARM1 Q86X55 1/20 0.30

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
SCHEMBL7330781 0.92
SCHEMBL7330606 0.92 ITGB3 (0.38) ITGB3ITGA2BMDM2PTGES
SCHEMBL7326338 0.92 ITGB3 (0.33) ITGB3ITGA2BMDM2PTGES
SCHEMBL7326786 0.91 MDM2 (0.36) ITGB3ITGA2BMDM2PTGES
SCHEMBL7325832 0.90 MDM2 (0.33) ITGB3ITGA2BMDM2PTGES
SCHEMBL7319257 0.88 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7333983 0.87 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7328678 0.87 HDAC1 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7330242 0.85 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7323534 0.85 ITGB3 (0.45) ITGB3ITGA2BPTGESCARM1

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