SCHEMBL4609541

SCHEMBL4609541

O=C(c1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.77
MAPK1 P28482 4/20 0.68
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
RAF1 P04049 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49

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
Acetic Acid Methyl Ester SCHEMBL27589095 0.90 VCAM1 (0.64) VCAM1MAPK1ALDH1A1LMNAMAPT
SCHEMBL18547069 0.89 VCAM1 (0.65) VCAM1MAPK1ALDH1A1LMNAMAPT
SCHEMBL333018 0.87 VCAM1 (1.00) VCAM1MAPK1ALDH1A1LMNAMAPT
SCHEMBL28115730 0.86 VCAM1 (0.97) VCAM1MAPK1ALDH1A1LMNAMAPT
SCHEMBL11014183 0.85 MAPK1 (0.73) VCAM1MAPK1ALDH1A1LMNAMAPT
Ethyne SCHEMBL11571141 0.84 VCAM1 (0.94) VCAM1MAPK1ALDH1A1LMNAMAPT
SCHEMBL360051 0.83 CASP6 (0.70) VCAM1MAPK1ALDH1A1LMNAMAPT
SCHEMBL5595136 0.82 MAPK1 (0.69) VCAM1MAPK1ALDH1A1LMNAMAPT
Methylamine SCHEMBL28114180 0.82 VCAM1 (0.89) VCAM1MAPK1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL11549591 0.81 CASP6 (0.68) VCAM1MAPK1ALDH1A1LMNAMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751137-B Method for preparing chloro aromatic compound by photo-induced nitroarene denitration chlorination 华中师范大学 2025-03-07 CN disclosed
CN-116751137-A Method for preparing chloro aromatic compound by photo-induced nitroarene denitration chlorination 华中师范大学 2023-09-15 CN disclosed
CN-101842101-A Salicylanilide modified peptides for use as oral therapeutics UNIV CALIFORNINA 2010-09-22 CN disclosed
CN-101522207-A Salicylanilides enhance oral delivery of therapeutic peptides UNIV CALIFORNINA (US) 2009-09-02 CN disclosed
CN-101417964-A Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2009-04-29 CN disclosed
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
CN-1281274-C 6-fluorobicyclo 3.1.0 hexane derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-10-25 CN disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
CN-1610557-A 6-fluorobicyclo [3.1.0] hexane derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2005-04-27 CN disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed
US-5900432-A Therapeutic N-(4-benzoyl-2-methyl-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamides ZENECA LIMITED (GB) 1999-05-04 US disclosed
US-5482969-A Certain N(4-benzoyl-2-phenyl)-3- trifluoro-2-hydroxy-propanamide derivatives ZENECA LIMITED (GB) 1996-01-09 US disclosed
EP-0617010-A1 Therapeutic compounds ZENECA LIMITED (GB) 1994-09-28 EP disclosed
CN-1080472-A Antifungal and herbicidal triazoles ROHM & HAAS (US) 1994-01-12 CN disclosed
US-4492708-A Antiviral benzimidazoles ELI LILLY AND COMPANY (US) 1985-01-08 US disclosed
EP-0111993-A2 Improvements in or relating to benzimidazoles ELI LILLY AND COMPANY (US) 1984-06-27 EP disclosed