SCHEMBL28645757

SCHEMBL28645757

Cc1c(C2CCCCC2)ccc(O)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
BACE1 P56817 1/20 0.45
HSP90AA1 P07900 1/20 0.41
FEN1 P39748 3/20 0.38
TDO2 P48775 2/20 0.37
ACMSD Q8TDX5 2/20 0.37
HTR2C P28335 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CEL P19835 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL7861267 0.85 NUDT1 (0.44) NUDT1BACE1HSP90AA1FEN1ACMSD
SCHEMBL6863507 0.85 NUDT1 (0.44) NUDT1BACE1HSP90AA1FEN1ACMSD
SCHEMBL11764867 0.81 NUDT1 (0.41) NUDT1BACE1HSP90AA1FEN1ACMSD
SCHEMBL533559 0.81 HTR2C (0.46) NUDT1BACE1FEN1TDO2HTR2C
SCHEMBL4973667 0.79 HDAC4 (0.43) NUDT1BACE1HSP90AA1FEN1TDO2
SCHEMBL12909319 0.79 NUDT1 (0.39) NUDT1BACE1HSP90AA1ACMSDHTR2C
SCHEMBL4301114 0.79 HTR2C (0.44) NUDT1BACE1HSP90AA1HTR2CHDAC4
SCHEMBL8954635 0.79 HTR2C (0.44) NUDT1BACE1HSP90AA1HTR2CHDAC4
SCHEMBL4608024 0.79 NUDT1 (0.42) NUDT1BACE1HSP90AA1FEN1ACMSD
SCHEMBL30152751 0.79 NUDT1 (0.42) NUDT1BACE1HSP90AA1FEN1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020827-B Method for synthesizing m-dialkylaminophenol 浙江山峪集团股份有限公司 2021-04-27 CN disclosed