SCHEMBL28623792

SCHEMBL28623792

CC1=NN(c2ccc(S(=O)(=O)O)c(N=NN)c2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MAPT P10636 8/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 5/20 0.49
GAA P10253 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
POLB P06746 2/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.48
CASP6 P55212 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL2223232 0.74 MAPT (0.66) CA1CA2CA9MAPTKMT2A
SCHEMBL6947889 0.74 MAPT (0.54) CA1CA2CA9MAPTKMT2A
SCHEMBL6947884 0.74 MAPT (0.54) CA1CA2CA9MAPTKMT2A
SCHEMBL13461208 0.73 MAPT (0.52) CA1CA2CA9MAPTKMT2A
SCHEMBL30679596 0.73 MAPT (0.52) CA1CA2CA9MAPTKMT2A
SCHEMBL29658293 0.72 CA1 (0.76) CA1CA2CA9MAPTKMT2A
SCHEMBL5386301 0.72 CA1 (0.76) CA1CA2CA9MAPTKMT2A
SCHEMBL8072508 0.71 MAPT (0.74) CA1CA2CA9MAPTKMT2A
SCHEMBL4661896 0.69 MAPT (0.59) CA1CA2CA9MAPTKMT2A
Edaravone SCHEMBL12477822 0.69 KMT2A (0.84) CA1CA2CA9MAPTKMT2A

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-109856068-B Formaldehyde detection reagent based on Mannich reaction and detection method 浙江理工大学 2021-08-24 CN disclosed