SCHEMBL9820982

SCHEMBL9820982

Nc1cc([N+](=O)[O-])ccc1Nc1cccc(OC(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
GFER P55789 3/20 0.66
GAA P10253 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ATM Q13315 1/20 0.56
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
RECQL P46063 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
NPC1 O15118 1/20 0.51
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
HPGD P15428 1/20 0.47
MPO P05164 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9821210 0.86 MAPT (0.67) MAPTMEN1KMT2AGFERGAA
SCHEMBL10626357 0.81 MAPT (0.71) MAPTMEN1KMT2AGFERGAA
SCHEMBL6582107 0.80 MAPT (1.00) MAPTMEN1KMT2AGFERGAA
SCHEMBL9821023 0.80 MAPT (0.51) MAPTMEN1KMT2AGFERGAA
SCHEMBL4588988 0.79 MAPT (0.58) MAPTMEN1KMT2AGFERGAA
SCHEMBL9820922 0.78 MAPT (0.64) MAPTMEN1KMT2AGFERGAA
SCHEMBL9821177 0.77 MAPT (0.56) MAPTMEN1KMT2AGFERGAA
SCHEMBL5174834 0.77 MAPT (0.75) MAPTMEN1KMT2AGFERGAA
SCHEMBL11195246 0.76 F2 (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7829819 0.76 MAPT (0.65) MAPTMEN1KMT2AGFERGAA

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