SCHEMBL6934153

SCHEMBL6934153

O=C1N(c2ccc([N+](=O)[O-])cc2)N=CC1(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.42
CRBN Q96SW2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN2A Q99250 1/20 0.41
PKM P14618 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 2/20 0.39
BLM P54132 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL6932462 0.73 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6738545 0.69 SCN2A (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6933095 0.69 MAPT (0.54) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6935518 0.68 ACHE (0.46) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL5972463 0.68 MAPT (0.50) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL23878375 0.67 MAPT (0.51) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6935223 0.66 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL10483763 0.66 MAPT (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL9187712 0.64 GSK3A (0.56) MAPTMEN1KMT2AALDH1A1GAA
Hydrogen Peroxide SCHEMBL28789390 0.64 ALDH1A1 (0.72) MEN1KMT2AALDH1A1L3MBTL1ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed