SCHEMBL7326648

SCHEMBL7326648

CCOC(=O)CC(NC(=O)c1cc(I)ccc1N)c1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
ROCK2 O75116 1/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.38
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
POLB P06746 1/20 0.38
CYP26A1 O43174 1/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL7326911 0.88 ROCK2 (0.44) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7335381 0.87 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7332244 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7356190 0.84 CDC25B (0.43) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7329704 0.83 MAPT (0.42) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7332298 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL9318974 0.77 CYP26A1 (0.44) LMNAROCK2MEN1KMT2AMAPT
SCHEMBL7332779 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7334670 0.75 TACR3 (0.44) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7190225 0.74 ROCK2 (0.48) ALDH1A1KDM4ELMNAROCK2MEN1

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