SCHEMBL29664451

SCHEMBL29664451

[N]C1=Cc2ccccc2ON1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
UBE2N P61088 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL3074957 0.78 ALOX5 (0.37) NISCHMEN1TP53MAPTTSHR
SCHEMBL574573 0.74 P2RY6 (0.32) NISCHMEN1TP53MAPTTSHR
SCHEMBL1871103 0.74 MEN1 (0.34) NISCHMEN1TP53MAPTTSHR
SCHEMBL3235017 0.74 AHR (0.31) NISCHMEN1TP53MAPTTSHR
SCHEMBL1493437 0.74 MEN1 (0.34) NISCHMEN1TP53MAPTTSHR
SCHEMBL30417860 0.74 AHR (0.33) NISCHMEN1TP53MAPTTSHR
SCHEMBL1491185 0.74 ALOX5 (0.32) NISCHMEN1TP53MAPTTSHR
SCHEMBL2075819 0.74 ALOX5 (0.35) NISCHMEN1TP53MAPTTSHR
SCHEMBL5181282 0.74 TSHR (0.34) NISCHMEN1TP53MAPTTSHR
SCHEMBL15284929 0.74 PTGS1 (0.33) NISCHMEN1TP53MAPTTSHR

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-110845317-B Method for preparing 2-methyl-1, 4-naphthoquinone by catalytic oxidation of 2-methylnaphthalene with functionalized carbon material 郑州大学 2022-04-01 CN disclosed