SCHEMBL7329352

SCHEMBL7329352

COC(=O)CC(C)NC(=O)c1cc(I)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.37
TACR3 P29371 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GFER P55789 1/20 0.34
CCR2 P41597 1/20 0.33
CFTR P13569 1/20 0.33
GCK P35557 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7332298 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7321127 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL6888038 0.83 ALOX5 (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4824242 0.79 TACR3 (0.53) MAPTTACR3MEN1KMT2A
SCHEMBL17556530 0.78 CCR2 (0.44) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8921986 0.76 MAPT (0.41) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8837019 0.74 TACR3 (0.36) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3138180 0.74 HPGDS (0.43) ALDH1A1KDM4EALOX5
SCHEMBL7330775 0.73 THRB (0.35) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL7330770 0.73 THRB (0.36) ALDH1A1KDM4EHSD17B10TSHRMEN1

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