SCHEMBL7329567

SCHEMBL7329567

CCOC(=O)CC(C)NC(=O)c1cc(I)ccc1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDC25B P30305 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SPR P35270 1/20 0.36
ILK Q13418 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL7323000 0.88 ALDH1A1 (0.43) ATMMAPTLMNAHSD17B10ALDH1A1
SCHEMBL7330770 0.85 THRB (0.36) LMNAHSD17B10ALDH1A1TSHRMEN1
SCHEMBL7334505 0.85 PPID (0.40) MAPTLMNAHSD17B10ALDH1A1TSHR
SCHEMBL7331581 0.84 THRB (0.36) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL7356190 0.81 CDC25B (0.43) MAPTLMNAALDH1A1ALOX15MEN1
SCHEMBL7322396 0.81 ALDH1A1 (0.45) ATMMAPTLMNAMAPK1HSD17B10
SCHEMBL7332298 0.80 ALDH1A1 (0.38) LMNAHSD17B10ALDH1A1TSHRMEN1
SCHEMBL7334667 0.78 ALDH1A1 (0.43) LMNAHSD17B10ALDH1A1TSHRMEN1
SCHEMBL7332776 0.77 ALDH1A1 (0.44) LMNAHSD17B10ALDH1A1TSHRMEN1
SCHEMBL7329570 0.76 ALDH1A1 (0.38) MAPTLMNAHSD17B10ALDH1A1TSHR

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