SCHEMBL9820922

SCHEMBL9820922

COc1ccc(OC(=O)O)cc1Nc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
RECQL P46063 1/20 0.64
DUSP3 P51452 1/20 0.64
PTPN5 P54829 1/20 0.64
PTPN11 Q06124 1/20 0.64
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 3/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
GFER P55789 2/20 0.49
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL9821023 0.86 MAPT (0.51) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL10623739 0.84 MAPT (0.67) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9821210 0.81 MAPT (0.67) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9820943 0.80 MAPT (0.51) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9820982 0.78 MAPT (0.66) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9821173 0.78 MAPT (0.58) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9821177 0.74 MAPT (0.56) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL9820590 0.73 MAPT (0.51) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL31274312 0.73 MAPT (0.67) MAPTRECQLDUSP3PTPN5PTPN11
SCHEMBL1249807 0.72 HTT (0.58) MAPTTDP1MEN1KMT2AGAA

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