SCHEMBL7332298

SCHEMBL7332298

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.38
GCK P35557 1/20 0.37
THRB P10828 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.34
PTGER4 P35408 1/20 0.34
POLB P06746 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
SCHEMBL7329352 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EGCKHSD17B10HPGD
SCHEMBL7330775 0.85 THRB (0.35) ALDH1A1KDM4ELMNATHRBHSD17B10
SCHEMBL7330770 0.84 THRB (0.36) ALDH1A1KDM4ELMNATHRBHSD17B10
SCHEMBL7335381 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ELMNATHRBHSD17B10
SCHEMBL7331590 0.83 THRB (0.34) ALDH1A1KDM4ELMNATHRBHSD17B10
SCHEMBL7331581 0.83 THRB (0.36) ALDH1A1KDM4ELMNATHRBTP53
SCHEMBL7329570 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ELMNATHRBHSD17B10
SCHEMBL7334509 0.80 POLB (0.40) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL6888038 0.80 ALOX5 (0.51) ALDH1A1KDM4ELMNAHSD17B10TP53
SCHEMBL7329567 0.80 ATM (0.40) ALDH1A1KDM4ELMNAHSD17B10MEN1

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