SCHEMBL7330180

SCHEMBL7330180

CCOC(=O)CC(C)N1CC(=O)N(c2ccccc2)c2ccc(I)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
ALDH1A1 P00352 6/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 6/20 0.36
MEN1 O00255 5/20 0.34
CASP3 P42574 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AGTR1 P30556 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
SCHEMBL7329828 0.89 KMT2A (0.39) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL7319919 0.85 ITGB3 (0.48) KMT2AALDH1A1ITGB3ITGA2BCYP1A2
SCHEMBL7328993 0.85 MAPT (0.39) KMT2AALDH1A1ITGB3ITGA2BMAPT
SCHEMBL7325524 0.84 ITGB3 (0.38) KMT2AALDH1A1ITGB3ITGA2BMAPT
SCHEMBL7320902 0.83 ITGB3 (0.44) ITGB3ITGA2BCYP1A2
SCHEMBL7321744 0.82 ITGB3 (0.46) ALDH1A1ITGB3ITGA2BMAPTKDM4E
SCHEMBL7327871 0.81 ITGB3 (0.35) KMT2AALDH1A1ITGB3ITGA2BMAPT
SCHEMBL7359849 0.81 ITGB3 (0.41) KMT2AALDH1A1ITGB3ITGA2BMAPT
SCHEMBL7332495 0.81 ALDH1A1 (0.40) KMT2AALDH1A1ITGB3ITGA2BMAPT
SCHEMBL7324345 0.81 GRM5 (0.36) KMT2AALDH1A1ITGB3ITGA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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