SCHEMBL7326558

SCHEMBL7326558

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(Cc2ccccc2)c2ccc(CCCCOc3cccnc3NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
TP53 P04637 1/20 0.35
PPIA P62937 4/20 0.33
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
MAPT P10636 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTR6 P50406 1/20 0.31
BRD4 O60885 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
SCHEMBL7331369 0.93 PPIA (0.33) MEN1KMT2ATP53PPIAITGB3
SCHEMBL7325193 0.92 MEN1 (0.37) MEN1KMT2ATP53PPIAMAPT
SCHEMBL7321764 0.92 MEN1 (0.37) MEN1KMT2ATP53PPIAMAPT
SCHEMBL7325984 0.91 MEN1 (0.36) MEN1KMT2ATP53PPIAMAPT
SCHEMBL7323775 0.88 MEN1 (0.35) MEN1KMT2ATP53PPIAMAPT
SCHEMBL7320615 0.86 MDM2 (0.33) PPIA
SCHEMBL7326950 0.85 NPSR1 (0.37) MEN1KMT2AITGB3ITGA2BMAPT
SCHEMBL7323213 0.84 EDNRB (0.32) MEN1KMT2AITGB3ITGA2BMAPT
SCHEMBL7323078 0.83 PPIA (0.33) MEN1KMT2ATP53PPIA
SCHEMBL7325597 0.83 ITGB3 (0.34) MEN1KMT2ATP53PPIAITGB3

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