SCHEMBL29239077

SCHEMBL29239077

CCCCn1c(=O)sn(-c2cccc3ccccc23)c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.64
HDAC6 Q9UBN7 1/20 0.64
RGS4 P49798 6/20 0.54
RGS8 P57771 4/20 0.54
GSK3A P49840 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
ELANE P08246 1/20 0.42
PRKCA P17252 1/20 0.42
ALDH1A1 P00352 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL29239097 0.86 GSK3B (0.71) GSK3BHDAC6RGS4RGS8GSK3A
SCHEMBL29239059 0.82 GSK3B (0.76) GSK3BHDAC6RGS4RGS8GSK3A
SCHEMBL30893118 0.79 GSK3B (0.59) GSK3BHDAC6RGS4RGS8GSK3A
SCHEMBL6426900 0.79 GSK3B (0.59) GSK3BHDAC6RGS4RGS8GSK3A
Tideglusib SCHEMBL676929 0.78 GSK3B (1.00) GSK3BHDAC6RGS4RGS8GSK3A
Tideglusib SCHEMBL29357303 0.78 GSK3B (1.00) GSK3BHDAC6RGS4RGS8GSK3A
SCHEMBL29239076 0.77 GSK3B (0.81) GSK3BHDAC6RGS4RGS8TDP1
SCHEMBL29239083 0.75 GSK3B (0.83) GSK3BHDAC6RGS4RGS8GSK3A
SCHEMBL29239070 0.74 GSK3B (0.69) GSK3BHDAC6RGS4RGS8GSK3A
SCHEMBL29239080 0.74 GSK3B (0.81) GSK3BHDAC6RGS4RGS8GSK3A

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-113827592-B Application of thiadiazolidinedione compound in treating pathogenic infection 中国科学院上海药物研究所 2024-06-18 CN disclosed