SCHEMBL7358495

SCHEMBL7358495

CN1C(=O)CN(C(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)C(=O)c2cc(C#Cc3cccc(CNC(=N)N)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
TP53 P04637 2/20 0.37
TNF P01375 1/20 0.31
MAPT P10636 1/20 0.31
HDAC1 Q13547 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7329767 0.92 ITGB3 (0.41) ITGB3ITGA2BTP53TNF
SCHEMBL7321726 0.91 ITGB3 (0.39) ITGB3ITGA2BTP53
SCHEMBL7328479 0.91 ITGB3 (0.39) ITGB3ITGA2BTP53
SCHEMBL7323284 0.90 ITGB3 (0.48) ITGB3ITGA2BTP53MAPTHDAC1
SCHEMBL7330000 0.87 ITGB3 (0.48) ITGB3ITGA2BTP53HDAC1
SCHEMBL7331617 0.87 ITGB3 (0.47) ITGB3ITGA2BTP53HDAC1
SCHEMBL7330627 0.87 ITGB3 (0.47) ITGB3ITGA2BTP53HDAC1
SCHEMBL7331627 0.85 ITGB3 (0.45) ITGB3ITGA2BTP53
SCHEMBL7323534 0.85 ITGB3 (0.45) ITGB3ITGA2BTP53MAPTKMT2A
SCHEMBL8842997 0.85 ITGB3 (0.35) ITGB3ITGA2B

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