SCHEMBL7335381

SCHEMBL7335381

CCOC(=O)CC(NC(=O)c1cc(I)ccc1N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
THRB P10828 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
TACR3 P29371 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP26A1 O43174 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
KCNK3 O14649 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7332779 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL7326648 0.87 ALDH1A1 (0.47) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL7332776 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL7334670 0.85 TACR3 (0.44) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL7323007 0.85 TACR3 (0.46) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL7334667 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ELMNATHRBHPGD
SCHEMBL7323000 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL7332298 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ELMNATHRBL3MBTL1
SCHEMBL4824242 0.83 TACR3 (0.53) LMNATACR3MEN1KMT2APOLB
SCHEMBL7328040 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ELMNATHRBL3MBTL1

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