SCHEMBL7325707

SCHEMBL7325707

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(Cc2ccccc2)c2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP4 P49662 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 4/20 0.38
SNCA P37840 4/20 0.38

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
SCHEMBL7324841 0.92 ITGB3 (0.44) MAPTLMNAKDM4ECASP1CASP3
SCHEMBL7328698 0.89 ITGB3 (0.49) MAPTLMNAKDM4ECASP1CASP3
SCHEMBL7330741 0.88 MAPT (0.44) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL7325626 0.88 KDM4E (0.44) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL7323709 0.87 MAPT (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7332708 0.84 MAPT (0.38) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7325925 0.84 MAPT (0.41) MAPTLMNAKDM4ECASP1CASP3
SCHEMBL7332715 0.82 KMT2A (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7329988 0.81 ADORA3 (0.36) MEN1KMT2AITGB3ITGA2BPOLB
SCHEMBL7334703 0.80 MAPT (0.39) MAPTLMNAALDH1A1MEN1KMT2A

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