SCHEMBL7330122

SCHEMBL7330122

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#Cc3ccc([N+](=O)[O-])cc3)ccc2N(C(C)C)C(=O)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP3 P42574 1/20 0.36
MDM2 Q00987 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
TNF P01375 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MYLK Q15746 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7323400 0.93 CASP3 (0.38) MAPTLMNAKDM4ECASP3MDM2
SCHEMBL7332414 0.91 LMNA (0.43) MAPTLMNAKDM4ECASP3MDM2
SCHEMBL7331657 0.90 LMNA (0.42) MAPTLMNAKDM4ECASP3MDM2
SCHEMBL7325925 0.89 MAPT (0.41) MAPTLMNAKDM4ECASP3MDM2
SCHEMBL7332173 0.87 TNF (0.37) KDM4EMDM2TNFALDH1A1
SCHEMBL7322818 0.84 CASP3 (0.38) MAPTLMNAKDM4ECASP3MDM2
SCHEMBL7333749 0.84 MDM2 (0.36) MDM2
SCHEMBL7330741 0.84 MAPT (0.44) MAPTLMNAKDM4EADORA3TNF
SCHEMBL7323368 0.83 ADORA3 (0.38) MAPTLMNAKDM4ECASP3MDM2
SCHEMBL7333200 0.82 MDM2 (0.42) 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