SCHEMBL7323284

SCHEMBL7323284

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
MAPT P10636 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 1/20 0.30
PTGES O14684 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
SCHEMBL7331537 0.91 ITGB3 (0.42) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7324954 0.91 ITGB3 (0.39) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7330126 0.91 ITGB3 (0.39) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7358495 0.90 ITGB3 (0.49) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7330448 0.87 ITGB3 (0.46) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7334573 0.87 ITGB3 (0.46) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7322293 0.85 ITGB3 (0.44) ITGB3ITGA2BGABRA1GABRG2GABRB3
SCHEMBL7319580 0.84 ITGB3 (0.45) ITGB3ITGA2BKMT2AMAPTPTGES
SCHEMBL7335036 0.84 ITGB3 (0.45) ITGB3ITGA2BPTGES
SCHEMBL7329513 0.83 MDM2 (0.34) ITGB3ITGA2BHDAC1

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