SCHEMBL7989517

SCHEMBL7989517

O=C(O)c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MAPK14 Q16539 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
RIPK2 O43353 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX5 P09917 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 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
SCHEMBL7977743 0.90 MAPT (0.54) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7991876 0.88 NPBWR1 (0.59) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7991834 0.86 MAPK14 (0.61) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7988678 0.86 MAPK14 (0.61) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7988654 0.86 MMP2 (0.57) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7992002 0.85 MAPK13 (0.60) MAPTMAPK14MEN1KMT2AMAPK13
SCHEMBL7977732 0.84 MAPT (0.56) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7977380 0.84 MEN1 (0.56) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL7991922 0.84 AR (0.50) MAPTMAPK14RAB9AMEN1LMNA
SCHEMBL6366542 0.84 MAPK13 (0.59) MAPTMAPK14KMT2AMAPK13MAPK12

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