SCHEMBL6933095

SCHEMBL6933095

O=C1N(c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)C1(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 4/20 0.50
HTT P42858 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL6935223 0.95 MEN1 (0.48) MAPTMEN1KMT2AGAANPSR1
SCHEMBL6931194 0.89 MAPT (0.45) MAPTMEN1KMT2AGAANPSR1
SCHEMBL6935518 0.88 ACHE (0.46) MAPTMEN1KMT2AGAANPSR1
SCHEMBL6931466 0.84 SMN1; SMN2 (0.41) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL6931197 0.84 MEN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6931599 0.83 KMT2A (0.46) MAPTMEN1KMT2AGAANPSR1
SCHEMBL8489121 0.82 APP (0.43) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL6935614 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2AGAANPSR1
SCHEMBL6933114 0.81 CNR1 (0.46) MAPTGAANPSR1SMN1; SMN2LMNA
SCHEMBL6935197 0.81 KDM4E (0.40) MAPTMEN1KMT2AGAAL3MBTL1

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