SCHEMBL7353197

SCHEMBL7353197

O=[N+]([O-])c1ccc(C(=NO)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.59
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CES2 O00748 1/20 0.52
SRD5A2 P31213 1/20 0.52
GSK3B P49841 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
PLAU P00749 1/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL29420172 0.92 CES1 (0.65) CES1CA1CA2TDP1MAPK1
SCHEMBL1140280 0.92 CES1 (0.65) CES1CA1CA2TDP1MAPK1
SCHEMBL13029991 0.91 ACHE (0.64) CES1CA1CA2TDP1MAPK1
SCHEMBL12418538 0.91 ACHE (0.64) CES1CA1CA2TDP1MAPK1
SCHEMBL16690236 0.88 POLB (0.63) CES1CA1CA2TDP1MAPK1
SCHEMBL15982290 0.86 ALDH1A1 (0.52) CES1CA1CA2TDP1MAPK1
SCHEMBL13719468 0.83 TSHR (0.51) CES1MAPK1TSHRALDH1A1LMNA
SCHEMBL8620473 0.83 CES1 (0.59) CES1CA1CA2TDP1MAPK1
SCHEMBL12379458 0.82 PTGS2 (0.60) CA1CA2TDP1MAPK1ALDH1A1
SCHEMBL18516793 0.81 PGR (0.52) CES1ALDH1A1LMNAGAAPOLB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110095941-B Photosensitive resin composition and method for producing semiconductor element 东丽株式会社 2023-02-17 CN disclosed
CN-102010475-B Photopolymerization initiator and photosensitive composition NIPPON STEEL & SUMIKIN CHEM CO 2015-05-20 CN disclosed
CN-102010475-A Photopolymerization initiator and photosensitive composition NIPPON STEEL CHEMICAL CO 2011-04-13 CN disclosed
EP-0692982-B1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT PHARM CO (US) 2000-07-05 EP disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
EP-0625164-B1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa DU PONT MERCK PHARMA (US) 1999-04-07 EP disclosed
US-5879657-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-03-09 US disclosed
EP-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP disclosed
US-5635477-A CYCLIC TETRAPEPTIDE DERIVATIVE FUSED TO A BENZENE RING; ANTICOAGULANTS; THROMBOLYTICS; CLOT LYSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-03 US disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP disclosed
EP-0691987-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP disclosed
EP-0625164-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-23 EP disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1993007170-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO disclosed