SCHEMBL7329828

SCHEMBL7329828

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(I)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 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
SCHEMBL7322279 0.89 MEN1 (0.40) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL7330180 0.89 KMT2A (0.38) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL7334373 0.87 MEN1 (0.39) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL7332715 0.86 KMT2A (0.39) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7334649 0.83 GABRA1 (0.38) KMT2AMEN1MAPTCYP1A2
SCHEMBL7327121 0.82 KMT2A (0.37) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL7325626 0.82 KDM4E (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7324973 0.81 ITGB3 (0.35) KMT2AMEN1MAPTTP53POLB
SCHEMBL7324239 0.81 MEN1 (0.37) KMT2AMEN1MAPTTP53POLB
SCHEMBL7333064 0.80 MDM2 (0.42) TP53

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