SCHEMBL7995167

SCHEMBL7995167

CC(C)(C)OC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
ALOX5 P09917 3/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK13 O15264 2/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
RIPK2 O43353 1/20 0.54
GMNN O75496 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL7991975 0.85 MAPK14 (0.49) MAPK14ALOX5RAB9AMEN1KMT2A
SCHEMBL7991767 0.84 MAPK11 (0.57) MAPK14ALOX5MAPTMEN1LMNA
SCHEMBL7995659 0.84 GCGR (0.54) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7977727 0.84 RAF1 (0.55) MAPK14ALOX5LMNAMAPK13MAPK12
SCHEMBL7992017 0.84 NPBWR1 (0.42) MAPK14ALOX5MAPTRAB9AMEN1
SCHEMBL7989693 0.83 MAPK14 (0.54) MAPK14ALOX5MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7977803 0.83 GCGR (0.53) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL7991834 0.83 MAPK14 (0.61) MAPK14ALOX5MAPTRAB9AMEN1
SCHEMBL7992024 0.78 AR (0.58) MAPK14MAPTRAB9AMEN1KMT2A
SCHEMBL7977722 0.77 NPBWR1 (0.53) MAPK14MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed