SCHEMBL31029949

SCHEMBL31029949

O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.70
MAPK13 O15264 6/20 0.70
MAPK12 P53778 6/20 0.70
MAPK11 Q15759 6/20 0.70
MAPT P10636 3/20 0.70
MEN1 O00255 2/20 0.70
LMNA P02545 2/20 0.70
KMT2A Q03164 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
RAB9A P51151 2/20 0.70
ALOX5 P09917 2/20 0.70
RIPK2 O43353 1/20 0.70
GMNN O75496 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
CYP3A4 P08684 1/20 0.70
THRB P10828 1/20 0.70
ALOX15 P16050 1/20 0.70
NFKB1 P19838 1/20 0.70
MAPK1 P28482 1/20 0.70

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
SCHEMBL2125126 0.89 MAPT (0.75) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL31029948 0.88 MAPT (0.58) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2127659 0.83 KMT2A (0.68) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL9514606 0.83 KMT2A (0.68) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL7989517 0.83 MAPT (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
Pd-169316 SCHEMBL154958 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPT
Pd-169316 SCHEMBL9899161 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL31029952 0.82 MAPT (0.57) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL67984 0.80 MAPK13 (0.89) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL31029951 0.80 MAPK13 (0.89) MAPK14MAPK13MAPK12MAPK11MAPT

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
CN-118440005-A Trisubstituted arylamine imidazole compound and preparation method and application thereof 华中科技大学 2024-08-06 CN disclosed