SCHEMBL17508288

SCHEMBL17508288

Nc1cccc(Nc2ccc([N+](=O)[O-])c(N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
TSHR P16473 1/20 0.59
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
EGFR P00533 1/20 0.45
DDX3X O00571 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.42
RECQL P46063 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
KIF11 P52732 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL17508290 0.85 GSK3B (0.49) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL17508157 0.85 MAPK1 (0.49) TDP1TSHRMAPTLMNAMEN1
SCHEMBL14040938 0.81 HPGD (0.66) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL17508202 0.81 TSHR (0.50) TDP1TSHRMAPTLMNAMEN1
SCHEMBL12287011 0.80 TDP1 (0.60) TDP1TSHRMAPTLMNAMEN1
SCHEMBL17508283 0.79 RAPGEF4 (0.46) TDP1TSHRMAPTLMNAMEN1
SCHEMBL11514743 0.78 TDP1 (0.68) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL17414842 0.76 MAPT (0.67) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL9984889 0.76 FGFR4 (0.49) TDP1TSHRMAPTLMNAMEN1
SCHEMBL121896 0.75 TDP1 (1.00) TDP1TSHRMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed