SCHEMBL7328344

SCHEMBL7328344

Nc1ccc(I)cc1C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
PRSS1 P07477 2/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 3/20 0.39
HDAC3 O15379 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS2 P07478 1/20 0.38
ELANE P08246 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
SCHEMBL7796011 0.91 ROCK2 (0.43) HRH4ALDH1A1MAPK1L3MBTL1HDAC1
SCHEMBL7325820 0.84 HRH4 (0.43) HRH4ALDH1A1MAPK1L3MBTL1PRSS1
SCHEMBL7334498 0.83 CYP1A2 (0.39) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL7795626 0.82 HRH4 (0.41) HRH4ALDH1A1MAPK1L3MBTL1PRSS1
SCHEMBL8921986 0.81 MAPT (0.41) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7353837 0.80 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1HDAC1PRSS1
SCHEMBL7329535 0.80 CA1 (0.42) ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL27441071 0.76 PRSS1 (0.69) HRH4ALDH1A1MAPK1L3MBTL1PRSS1
SCHEMBL12913502 0.76 PRSS1 (0.64) ALDH1A1MAPK1L3MBTL1HDAC2PRSS1
SCHEMBL8151587 0.75 CA1 (0.46) MAPK1LMNAMEN1KMT2A

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