SCHEMBL7325820

SCHEMBL7325820

CNc1ccc(I)cc1C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
PRSS1 P07477 2/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
KCNA5 P22460 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 2/20 0.37

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
SCHEMBL7795626 0.91 HRH4 (0.41) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7323307 0.85 CYP1A2 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7328344 0.84 HRH4 (0.42) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7796011 0.82 ROCK2 (0.43) HRH4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8959409 0.81 NPSR1 (0.40) L3MBTL1LMNA
SCHEMBL7322396 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1PRSS1CTSGCTRB1
SCHEMBL7323779 0.75 ADORA3 (0.43) MEN1KMT2AALDH1A1PRSS1CTSG
SCHEMBL7332456 0.74 HDAC8 (0.46)
SCHEMBL8836859 0.74 CYP3A4 (0.41) MEN1KMT2AALDH1A1PRSS1CTSG
SCHEMBL27441071 0.74 PRSS1 (0.69) HRH4MEN1KMT2AL3MBTL1ALDH1A1

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