SCHEMBL7323400

SCHEMBL7323400

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
MDM2 Q00987 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSP90AA1 P07900 1/20 0.33
OPRK1 P41145 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7330122 0.93 MAPT (0.42) CASP3MAPTLMNAKDM4EADORA3
SCHEMBL7322818 0.92 CASP3 (0.38) CASP3MAPTLMNAKDM4EADORA3
SCHEMBL7323368 0.90 ADORA3 (0.38) CASP3MAPTLMNAKDM4EADORA3
SCHEMBL7324695 0.89 CASP3 (0.40) CASP3MAPTLMNAMDM2MEN1
SCHEMBL7330551 0.86 MDM2 (0.36) KDM4EMDM2ALDH1A1CACNA1FCACNA1D
SCHEMBL7332414 0.83 LMNA (0.43) CASP3MAPTLMNAKDM4EADORA3
SCHEMBL7328504 0.83 MDM2 (0.37) KDM4EMDM2ALDH1A1
SCHEMBL7331657 0.82 LMNA (0.42) CASP3MAPTLMNAKDM4EADORA3
SCHEMBL7332697 0.82 MDM2 (0.42) MDM2
SCHEMBL7325925 0.81 MAPT (0.41) CASP3MAPTLMNAKDM4EMDM2

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