SCHEMBL7356371

SCHEMBL7356371

NCCCC#Cc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX5 P09917 3/20 0.32

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
SCHEMBL7354764 0.97 ITGB3 (0.49) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7360095 0.88 ITGB3 (0.51) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356197 0.86 ITGB3 (0.37) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7359377 0.84 HDAC1 (0.37) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL8836989 0.83 ITGB3 (0.73) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL8836898 0.82 ITGB3 (0.48) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356192 0.82 ITGB3 (0.38) ITGB3ITGA2BKDM4EALOX15HDAC1
SCHEMBL7365574 0.82 ITGB3 (0.46) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7357560 0.81 KDM4E (0.41) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8959490 0.81 KDM4E (0.41) ITGB3ITGA2BKDM4EALOX15TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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
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