SCHEMBL7325832

SCHEMBL7325832

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
PTGES O14684 3/20 0.31
TPSAB1 Q15661 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7326181 0.92 MDM2 (0.31) MDM2
SCHEMBL7333804 0.91 ITGB3 (0.36) MDM2ITGB3ITGA2BPTGESTPSAB1
SCHEMBL7328023 0.91 MDM2 (0.34) MDM2ITGB3ITGA2BPTGESTPSAB1
SCHEMBL7331591 0.90 MDM2 (0.39) MDM2ITGB3ITGA2BPTGESTPSAB1
SCHEMBL7330207 0.90 ITGB3 (0.33) MDM2ITGB3ITGA2BPTGES
SCHEMBL7356942 0.88 MDM2 (0.34) MDM2ITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL7330026 0.87 MDM2 (0.35) MDM2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL7333605 0.85 MDM2 (0.32) MDM2
SCHEMBL7322119 0.84 MDM2 (0.34) MDM2ITGB3ITGA2BPTGESTPSAB1
SCHEMBL7319580 0.84 ITGB3 (0.45) ITGB3ITGA2BPTGESALDH1A1CYP1A2

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
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