SCHEMBL11264987

SCHEMBL11264987

O=[N+]([O-])c1nc(-c2ccc(F)cc2)c(-c2cccnc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.52
MAPK11 Q15759 6/20 0.52
MAPK13 O15264 5/20 0.52
MAPK12 P53778 5/20 0.52
ALOX5 P09917 4/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
RIPK2 O43353 1/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL11268832 0.85 MAPK11 (0.59) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL11267958 0.79 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL11268584 0.74 MAPT (0.59) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL15075635 0.74 MAPK14 (0.78) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL11273419 0.72 LMNA (0.52) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL5698659 0.72 ALOX5 (0.75) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL18041593 0.72 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL9646725 0.70 KDM4E (0.58) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6249453 0.70 MAPK11 (0.56) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL11272961 0.70 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12CYP3A4

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 4 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-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