SCHEMBL29239093

SCHEMBL29239093

CCCCn1c(=O)sn(Cc2ccccc2)c1=O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.69
GSK3A P49840 4/20 0.69
RGS4 P49798 11/20 0.66
PRKCA P17252 2/20 0.64
RGS8 P57771 9/20 0.63
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
ALKBH5 Q6P6C2 1/20 0.50

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
SCHEMBL13562490 0.91 RGS4 (0.75) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL23763500 0.85 GSK3B (0.77) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL15212631 0.84 GSK3B (0.78) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL29239055 0.83 GSK3B (0.76) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL2107216 0.82 GSK3B (1.00) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL15210819 0.82 GSK3B (0.73) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL11455650 0.81 RGS4 (1.00) GSK3BGSK3ARGS4PRKCARGS8
Krm-7777 SCHEMBL3384141 0.78 GSK3B (1.00) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL18691723 0.78 GSK3B (0.67) GSK3BGSK3ARGS4PRKCARGS8
SCHEMBL2107221 0.78 RGS4 (1.00) GSK3BGSK3ARGS4PRKCARGS8

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