SCHEMBL7325626

SCHEMBL7325626

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(C#Cc3ccc([N+](=O)[O-])cc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
ADORA3 P0DMS8 1/20 0.36
TNF P01375 1/20 0.35
AR P10275 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
XPO1 O14980 1/20 0.33
CDC25B P30305 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL7321744 0.91 ITGB3 (0.46) KDM4ELMNAMAPTITGB3ITGA2B
SCHEMBL7328698 0.91 ITGB3 (0.49) KDM4ELMNAMAPTITGB3ITGA2B
SCHEMBL7330741 0.89 MAPT (0.44) KDM4ELMNAMAPTITGB3ITGA2B
SCHEMBL7325707 0.88 MAPT (0.43) KDM4ELMNAMAPTITGB3ITGA2B
SCHEMBL7334649 0.87 GABRA1 (0.38) MAPTITGB3ITGA2BTNFMEN1
SCHEMBL7324973 0.84 ITGB3 (0.35) MAPTITGB3ITGA2BMEN1KMT2A
SCHEMBL7331657 0.84 LMNA (0.42) KDM4ELMNAMAPTADORA3AR
SCHEMBL7329828 0.82 KMT2A (0.39) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL7326692 0.80 ADORA3 (0.36) ITGB3ITGA2BADORA3
SCHEMBL7324841 0.79 ITGB3 (0.44) KDM4ELMNAMAPTITGB3ITGA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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