SCHEMBL7330770

SCHEMBL7330770

CCOC(=O)CC(C)NC(=O)c1cc(I)ccc1NC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
TP53 P04637 1/20 0.36
MAP2K1 Q02750 2/20 0.35
MAP2K2 P36507 1/20 0.35
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL7331581 0.89 THRB (0.36) THRBTP53MAP2K1MAP2K2ALDH1A1
SCHEMBL7321127 0.89 ALDH1A1 (0.36) MAP2K1ALDH1A1MEN1KMT2ATSHR
SCHEMBL7329567 0.85 ATM (0.40) MAP2K1MAP2K2ALDH1A1MEN1KMT2A
SCHEMBL7332298 0.84 ALDH1A1 (0.38) THRBTP53ALDH1A1MEN1KMT2A
SCHEMBL7332776 0.84 ALDH1A1 (0.44) THRBTP53ALDH1A1MEN1KMT2A
SCHEMBL7334505 0.84 PPID (0.40) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL7325460 0.84 PTPRC (0.38) MAP2K1MAP2K2ALDH1A1MEN1KMT2A
SCHEMBL7330775 0.80 THRB (0.35) THRBTP53ALDH1A1MEN1KMT2A
SCHEMBL7326911 0.78 ROCK2 (0.44) THRBTP53ALDH1A1MEN1KMT2A
SCHEMBL7323307 0.78 CYP1A2 (0.39) MAP2K1MAP2K2ALDH1A1MEN1KMT2A

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