SCHEMBL28512241

SCHEMBL28512241

O=C(NN=Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.84
KMT2A Q03164 4/20 0.84
MEN1 O00255 3/20 0.84
SENP1 Q9P0U3 1/20 0.73
RAB9A P51151 2/20 0.73
GAA P10253 2/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
GFER P55789 1/20 0.71
ALDH1A1 P00352 5/20 0.67
NPSR1 Q6W5P4 3/20 0.67
DUSP3 P51452 2/20 0.67
PTPN5 P54829 2/20 0.67
PTPN11 Q06124 2/20 0.67
HTT P42858 2/20 0.65
KDM4E B2RXH2 2/20 0.65
AGTR1 P30556 1/20 0.65
OPRK1 P41145 1/20 0.65

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
SCHEMBL28521624 0.89 MAPT (0.74) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL28510030 0.89 LMNA (0.76) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL28510033 0.87 NOX4 (0.79) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL8298517 0.87 NOX4 (0.79) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL15887779 0.86 MAPT (0.65) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL15917496 0.86 MAPT (0.80) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL15917497 0.86 MAPT (0.80) MAPTKMT2AMEN1SENP1RAB9A
SCHEMBL28506876 0.86 KMT2A (0.78) MAPTKMT2AMEN1RAB9AGAA
SCHEMBL28515477 0.83 MAPT (1.00) MAPTKMT2AMEN1GAAPOLB
SCHEMBL28517560 0.83 MAPT (1.00) MAPTKMT2AMEN1GAAPOLB

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