SCHEMBL11268832

SCHEMBL11268832

O=[N+]([O-])c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 11/20 0.59
MAPK14 Q16539 11/20 0.59
MAPK13 O15264 10/20 0.59
MAPK12 P53778 10/20 0.59
ALOX5 P09917 5/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
RIPK2 O43353 1/20 0.59
GMNN O75496 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59

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
SCHEMBL11273419 0.85 LMNA (0.52) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL11264987 0.85 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL18041593 0.82 MAPK14 (0.48) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL11268584 0.82 MAPT (0.59) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL11273959 0.80 NOX1 (0.54) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL5371873 0.75 KDM4E (0.67) MAPK11MAPK14MAPK13MAPK12ALOX5
Pd-169316 SCHEMBL9899161 0.75 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
Pd-169316 SCHEMBL154958 0.75 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL3371979 0.74 MAPK14 (0.74) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL11276224 0.72 MAPK14 (0.57) MAPK11MAPK14MAPK13MAPK12ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008755-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-NITROIMIDAZOLES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-21 EP disclosed
US-4251535-A ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4251535-A ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4199592-A Antiinflammatory 4,5-diaryl-2-nitroimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-22 US disclosed
US-4199592-A Antiinflammatory 4,5-diaryl-2-nitroimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-22 US disclosed
EP-0008755-A1 Antiinflammatory 4,5-diaryl-2-nitroimidazoles, method for their preparation and pharmaceutical composition containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-19 EP disclosed
EP-0008755-A1 Antiinflammatory 4,5-diaryl-2-nitroimidazoles, method for their preparation and pharmaceutical composition containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-19 EP disclosed