SCHEMBL28510646

SCHEMBL28510646

O=C(NN=Cc1ccc(O)cc1O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.79
PTPN5 P54829 1/20 0.79
PTPN11 Q06124 1/20 0.79
MAPT P10636 7/20 0.62
ALDH1A1 P00352 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
HTT P42858 3/20 0.60
PHGDH O43175 1/20 0.60
POLB P06746 2/20 0.60
GAA P10253 1/20 0.60
OPRK1 P41145 2/20 0.59
KDM4E B2RXH2 1/20 0.59
AGTR1 P30556 1/20 0.59
GFER P55789 1/20 0.59
SIRT1 Q96EB6 1/20 0.59

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
SCHEMBL28520375 0.89 DUSP3 (0.62) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL683973 0.89 DUSP3 (0.76) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL12746264 0.88 DUSP3 (1.00) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL12746255 0.88 DUSP3 (0.71) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL28508004 0.87 MEN1 (0.73) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL28423202 0.86 DUSP3 (0.75) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL21292850 0.86 DUSP3 (0.82) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL21292847 0.86 DUSP3 (0.82) DUSP3PTPN5PTPN11MAPTALDH1A1
SCHEMBL28515473 0.85 SIRT1 (0.70) MAPTLMNAL3MBTL1SMN1; SMN2MEN1
SCHEMBL21145695 0.85 DUSP3 (0.84) DUSP3PTPN5PTPN11MAPTALDH1A1

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
CN-112079744-A Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor 湖南大学 2020-12-15 CN claimed
CN-112079744-B Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor 湖南大学 2021-07-30 CN disclosed
CN-112079744-A Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor 湖南大学 2020-12-15 CN disclosed