SCHEMBL7327952

SCHEMBL7327952

CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(C#CC(S)CNC(=N)N)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
MDM2 Q00987 3/20 0.33
HDAC1 Q13547 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
SCHEMBL7324878 0.93 ITGB3 (0.34) ITGB3ITGA2BMDM2
SCHEMBL7322495 0.93 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7333983 0.92 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7322370 0.91 MDM2 (0.36) ITGB3ITGA2BMDM2
SCHEMBL7332363 0.90 MDM2 (0.35) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7330113 0.87 ITGB3 (0.37) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7326069 0.87 HDAC1 (0.39) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7330606 0.87 ITGB3 (0.38) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7326568 0.86 MDM2 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7330764 0.84

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 6 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
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