SCHEMBL6933158

SCHEMBL6933158

COc1ccc(N2N=C(C(=O)O)C(O)(O)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.42
APP P05067 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ELANE P08246 1/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.40
NR4A1 P22736 1/20 0.40
APEX1 P27695 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6935778 0.87 MEN1 (0.48) MEN1KMT2AGAAAPPCA1
SCHEMBL6933067 0.85 POLB (0.40) MEN1KMT2AGAATP53CA1
SCHEMBL6928263 0.83 PDE4D (0.48) MEN1KMT2AGAAAPPELANE
SCHEMBL6930354 0.82 POLB (0.46) MEN1KMT2AGAAPOLBKDM4E
SCHEMBL6935335 0.81 MEN1 (0.46) MEN1KMT2AGAAAPPCA1
SCHEMBL6935754 0.81 MAPT (0.40) MEN1KMT2AELANEPOLBKDM4E
SCHEMBL6934726 0.81 APP (0.48) MEN1KMT2AGAAAPPELANE
SCHEMBL6935629 0.78 APP (0.49) MEN1KMT2AGAAAPPCA1
SCHEMBL6932816 0.78 CES2 (0.44) MEN1KMT2AGAAAPPPOLB
SCHEMBL6935627 0.77 MEN1 (0.43) MEN1KMT2AGAATP53APP

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 3 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
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