SCHEMBL9821023

SCHEMBL9821023

Cc1ccc(OC(=O)O)cc1Nc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
GFER P55789 2/20 0.51
RECQL P46063 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 5/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL9820922 0.86 MAPT (0.64) MAPTKMT2AMEN1GFERRECQL
SCHEMBL9821210 0.83 MAPT (0.67) MAPTKMT2AMEN1GFERRECQL
SCHEMBL10628250 0.82 MAPT (0.54) MAPTKMT2AMEN1GFERRECQL
SCHEMBL9821177 0.81 MAPT (0.56) MAPTKMT2AMEN1GFERRECQL
SCHEMBL9820982 0.80 MAPT (0.66) MAPTKMT2AMEN1GFERRECQL
SCHEMBL9821173 0.80 MAPT (0.58) MAPTKMT2AMEN1GFERRECQL
SCHEMBL9820943 0.74 MAPT (0.51) MAPTKMT2AMEN1GFERRECQL
SCHEMBL10623575 0.74 MAPT (0.56) MAPTKMT2AMEN1GFERRECQL
SCHEMBL10623676 0.73 MAPT (0.62) MAPTKMT2AMEN1GFERRECQL
SCHEMBL2920267 0.73 CTSV (0.69) MAPTKMT2AMEN1GFERKDM4E

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
EP-0220613-B1 DIRECT HAIR DYEING COMPOSITION CONTAINING DERIVATIVES OF NITRODIPHENYL AMINE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-08 EP disclosed
EP-0220613-A1 Direct hair dyeing composition containing derivatives of nitrodiphenyl amine Henkel Kommanditgesellschaft auf Aktien (DE) 1987-05-06 EP disclosed