SCHEMBL31029952

SCHEMBL31029952

O=[N+]([O-])c1ccc(-c2nc(-c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TDP1 Q9NUW8 5/20 0.57
MAPK14 Q16539 3/20 0.57
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.57
ALOX5 P09917 2/20 0.57
MAPK13 O15264 2/20 0.57
MAPK12 P53778 2/20 0.57
MAPK11 Q15759 2/20 0.57
CYP3A4 P08684 2/20 0.57
RIPK2 O43353 1/20 0.57
GMNN O75496 1/20 0.57
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL31029949 0.82 MAPK14 (0.70) MAPTMEN1KMT2ATDP1MAPK14
SCHEMBL2125126 0.81 MAPT (0.75) MAPTMEN1KMT2ATDP1MAPK14
SCHEMBL31029948 0.80 MAPT (0.58) MAPTMEN1KMT2ATDP1MAPK14
SCHEMBL2127659 0.76 KMT2A (0.68) MAPTMEN1KMT2ATDP1MAPK14
SCHEMBL9514606 0.76 KMT2A (0.68) MAPTMEN1KMT2ATDP1MAPK14
Pd-169316 SCHEMBL154958 0.72 MAPK14 (1.00) MAPTMEN1KMT2ATDP1MAPK14
Pd-169316 SCHEMBL9899161 0.72 MAPK14 (1.00) MAPTMEN1KMT2ATDP1MAPK14
SCHEMBL31138869 0.72 ALDH1A1 (0.53) MEN1KMT2ATDP1LMNANPSR1
SCHEMBL4310481 0.72 ALDH1A1 (0.53) MEN1KMT2ATDP1LMNANPSR1
SCHEMBL2957696 0.72 NOX1 (0.65) MAPTMEN1KMT2ATDP1MAPK14

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