SCHEMBL29239076

SCHEMBL29239076

Cc1ccc(Cn2c(=O)sn(-c3cccc4ccccc34)c2=O)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.81
HDAC6 Q9UBN7 1/20 0.81
RGS4 P49798 16/20 0.61
RGS8 P57771 15/20 0.61
RGS16 O15492 1/20 0.55
RGS19 P49795 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
P2RX4 Q99571 1/20 0.47

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
Tideglusib SCHEMBL676929 0.90 GSK3B (1.00) GSK3BHDAC6RGS4RGS8
Tideglusib SCHEMBL29357303 0.90 GSK3B (1.00) GSK3BHDAC6RGS4RGS8
SCHEMBL29239083 0.89 GSK3B (0.83) GSK3BHDAC6RGS4RGS8
SCHEMBL29239075 0.88 GSK3B (0.81) GSK3BHDAC6RGS4RGS8RGS16
SCHEMBL29239080 0.88 GSK3B (0.81) GSK3BHDAC6RGS4RGS8
SCHEMBL30893120 0.84 GSK3B (0.76) GSK3BHDAC6RGS4RGS8TDP1
SCHEMBL29239094 0.84 GSK3B (0.76) GSK3BHDAC6RGS4RGS8TDP1
SCHEMBL29239096 0.84 GSK3B (0.80) GSK3BHDAC6RGS4RGS8SMN1; SMN2
SCHEMBL29239097 0.81 GSK3B (0.71) GSK3BHDAC6RGS4RGS8SMN1; SMN2
SCHEMBL30893121 0.81 GSK3B (0.77) GSK3BHDAC6RGS4RGS8

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