SCHEMBL6935627

SCHEMBL6935627

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
APP P05067 1/20 0.42
ELANE P08246 1/20 0.40
MGLL Q99685 1/20 0.38
GRM1 Q13255 2/20 0.38
GRM5 P41594 1/20 0.38
HSD11B1 P28845 2/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6931221 0.85 ELANE (0.37) MEN1KMT2AGAAELANEMGLL
SCHEMBL6933171 0.85 ELANE (0.43) MEN1KMT2AGAAAPPELANE
SCHEMBL6935759 0.82 MAPT (0.42) MEN1KMT2AGAAELANEMGLL
SCHEMBL6932807 0.82 SMN1; SMN2 (0.42) MEN1KMT2AGAAPOLBCYP1A2
SCHEMBL6934726 0.81 APP (0.48) MEN1KMT2AGAAAPPELANE
SCHEMBL6935335 0.81 MEN1 (0.46) MEN1KMT2AGAAAPPELANE
SCHEMBL6935629 0.78 APP (0.49) MEN1KMT2AGAAAPPELANE
SCHEMBL6933158 0.77 MEN1 (0.46) MEN1KMT2AGAAAPPELANE
SCHEMBL6935778 0.76 MEN1 (0.48) MEN1KMT2AGAAAPPELANE
SCHEMBL6932816 0.75 CES2 (0.44) MEN1KMT2AGAAAPPHSD11B1

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