SCHEMBL17508283

SCHEMBL17508283

Cc1cc([N+](=O)[O-])c(N)cc1Nc1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
ALOX15 P16050 1/20 0.44
EGFR P00533 1/20 0.44
DDX3X O00571 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
GFER P55789 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.41
CASP7 P55210 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
SCHEMBL17508316 0.81 RAPGEF4 (0.57) RAPGEF4ALDH1A1CYP3A4RECQLTDP1
SCHEMBL16755402 0.80 LMNA (0.52) RAPGEF4ALDH1A1TSHRTDP1LMNA
Hydrochloric Acid SCHEMBL17508234 0.79 RAPGEF4 (0.56) RAPGEF4ALDH1A1CYP3A4RECQLTDP1
SCHEMBL11514743 0.79 TDP1 (0.68) ALDH1A1TDP1EGFRLMNAL3MBTL1
SCHEMBL17508288 0.79 TDP1 (0.59) RAPGEF4ALDH1A1TSHRCYP3A4RECQL
SCHEMBL17506821 0.76 GSK3B (0.45) RAPGEF4ALDH1A1TDP1LMNAHTT
SCHEMBL11515701 0.75 MAPT (0.72) ALDH1A1TDP1L3MBTL1KMT2AMAPT
SCHEMBL3323396 0.74 MAPT (0.51) ALDH1A1TDP1EGFRLMNAL3MBTL1
SCHEMBL28296720 0.74 L3MBTL1 (0.60) ALDH1A1TDP1LMNAL3MBTL1HTT
SCHEMBL17506802 0.73 RAPGEF4 (0.56) RAPGEF4ALDH1A1TSHRCYP3A4RECQL

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