SCHEMBL7323368

SCHEMBL7323368

CCOC(=O)CC(C)N1C(=O)c2cc(C#Cc3ccc([N+](=O)[O-])cc3)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
CASP3 P42574 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MDM2 Q00987 1/20 0.35
GSK3B P49841 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
AR P10275 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7331657 0.92 LMNA (0.42) ADORA3CASP3LMNAMAPTKDM4E
SCHEMBL7322818 0.91 CASP3 (0.38) ADORA3CASP3LMNAMAPTKDM4E
SCHEMBL7323400 0.90 CASP3 (0.38) ADORA3CASP3LMNAMAPTKDM4E
SCHEMBL7324695 0.88 CASP3 (0.40) CASP3LMNAMAPTMEN1KMT2A
SCHEMBL7333912 0.86 ELANE (0.39) MDM2ATMCYP3A4
SCHEMBL7335676 0.83 MDM2 (0.36) CASP3MAPTKMT2AMDM2ALDH1A1
SCHEMBL7330122 0.83 MAPT (0.42) ADORA3CASP3LMNAMAPTKDM4E
SCHEMBL7321744 0.83 ITGB3 (0.46) ADORA3LMNAMAPTKDM4EGSK3B
SCHEMBL7332414 0.83 LMNA (0.43) ADORA3CASP3LMNAMAPTKDM4E
SCHEMBL7320919 0.82 MDM2 (0.41) 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