SCHEMBL28498261

SCHEMBL28498261

O=C1C=CC(=O)C(O)=C1O.[Fe]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.45
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
COPS5 Q92905 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
BLM P54132 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 3/20 0.43
ALOX12 P18054 3/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 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
SCHEMBL594152 0.96 CDC25B (0.47) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL11664840 0.81
SCHEMBL2687051 0.74 AURKA (0.38) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL16994960 0.74 AURKA (0.38) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL187343 0.74 MEN1 (0.48) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL899101 0.70 AURKA (0.35) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL4443898 0.69 CDC25B (0.39) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL5536618 0.68 AURKA (0.33) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL18575642 0.68 ERBB2 (0.39) CDC25BAURKAAURKBCYP1A1CYP1A2
SCHEMBL4450124 0.67 AURKA (0.38) CDC25BAURKAAURKBCYP1A1CYP1A2

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-112042019-A Electrode material, electrode, electricity storage device, and slurry composition 日本瑞翁株式会社 2020-12-04 CN disclosed