SCHEMBL7322396

SCHEMBL7322396

CCOC(=O)CCNC(=O)c1cc(I)ccc1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MT-CO2 P00403 2/20 0.41
ATM Q13315 1/20 0.41
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TOP2A P11388 1/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
ALOX15 P16050 1/20 0.39
MCL1 Q07820 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
POLB P06746 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL7326028 0.89 MAPT (0.41) ALDH1A1PTGS2MAPTLMNAMAPK1
SCHEMBL7322908 0.88 PTGS2 (0.43) ALDH1A1PTGS1PTGS2MAPTLMNA
SCHEMBL7332598 0.86 AKR1C3 (0.43) MAPTAKR1C3AKR1C2
SCHEMBL7323307 0.85 CYP1A2 (0.39) ALDH1A1MAPTTOP2AMCL1
SCHEMBL7323779 0.84 ADORA3 (0.43) ALDH1A1MAPTLMNATOP2APRSS1
SCHEMBL7326342 0.83 CTSV (0.58) ALDH1A1MAPTLMNAMAPK1AKR1C3
SCHEMBL8836859 0.82 CYP3A4 (0.41) ALDH1A1TOP2APRSS1CTSGCTRB1
SCHEMBL7329567 0.81 ATM (0.40) ALDH1A1ATMMAPTLMNAMAPK1
SCHEMBL7321950 0.80 PPARG (0.42) ALDH1A1MAPTLMNAMAPK1POLB
SCHEMBL7323000 0.80 ALDH1A1 (0.43) ALDH1A1ATMMAPTLMNAHSD17B10

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 7 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed