SCHEMBL7330606

SCHEMBL7330606

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
MDM2 Q00987 3/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PTGES O14684 1/20 0.31
CCKBR P32239 2/20 0.30
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
SCHEMBL8842997 0.93 ITGB3 (0.35) ITGB3ITGA2BMDM2
SCHEMBL7326338 0.93 ITGB3 (0.33) ITGB3ITGA2BMDM2PTGES
SCHEMBL7326786 0.92 MDM2 (0.36) ITGB3ITGA2BMDM2PTGES
SCHEMBL7330207 0.92 ITGB3 (0.33) ITGB3ITGA2BMDM2PTGES
SCHEMBL7333804 0.90 ITGB3 (0.36) ITGB3ITGA2BMDM2PTGESCCKBR
SCHEMBL7330113 0.87 ITGB3 (0.37) ITGB3ITGA2BMDM2PSEN1PSEN2
SCHEMBL7327952 0.87 ITGB3 (0.36) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7326069 0.87 HDAC1 (0.39) ITGB3ITGA2BMDM2HDAC1
SCHEMBL7330242 0.86 ITGB3 (0.32) ITGB3ITGA2BMDM2
SCHEMBL7326013 0.84 MDM2 (0.34) MDM2

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