SCHEMBL10463187

SCHEMBL10463187

CCCCNc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
POLB P06746 3/20 0.52
HCAR3 P49019 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MCL1 Q07820 1/20 0.48
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.44
KAT2B Q92831 4/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL10463184 0.86 MAPT (0.52) MAPTPOLBL3MBTL1ALDH1A1TDP1
SCHEMBL13497817 0.85 MAPT (0.53) MAPTPOLBHCAR3L3MBTL1ALDH1A1
SCHEMBL7669945 0.83 MAPT (0.55) MAPTPOLBPKML3MBTL1ALDH1A1
SCHEMBL7671343 0.83 MAPT (0.50) MAPTPOLBL3MBTL1ALDH1A1TDP1
SCHEMBL10463734 0.82 LMNA (0.69) MAPTPOLBHCAR3L3MBTL1ALDH1A1
SCHEMBL15239673 0.81 MAPT (0.61) MAPTPOLBHCAR3PKML3MBTL1
SCHEMBL29959789 0.78 MAPT (0.60) MAPTPOLBHCAR3PKML3MBTL1
SCHEMBL14334902 0.78 MAPT (0.60) MAPTPOLBHCAR3PKML3MBTL1
SCHEMBL2923713 0.77 MAPT (0.57) MAPTPOLBHCAR3L3MBTL1ALDH1A1
SCHEMBL13497816 0.77 MAPT (0.53) MAPTPOLBHCAR3L3MBTL1ALDH1A1

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
US-4904276-A Nitroaminophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate nitroaminobenzenes and their use in dyeing keratinous fibres L'OREAL (FR) 1990-02-27 US disclosed
US-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 US disclosed