SCHEMBL29239098

SCHEMBL29239098

O=c1sn(Cc2ccccc2)c(=O)n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.75
GSK3A P49840 3/20 0.75
RGS4 P49798 10/20 0.68
RGS8 P57771 10/20 0.68
PRKCA P17252 2/20 0.61
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.48
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 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
SCHEMBL13516844 0.88 RGS4 (0.73) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL2107216 0.87 GSK3B (1.00) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL13517333 0.82 RGS4 (0.78) GSK3BRGS4RGS8PRKCA
SCHEMBL2107221 0.81 RGS4 (1.00) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL29239069 0.80 GSK3B (0.74) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL6427057 0.78 GSK3A (0.65) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL23763548 0.78 GSK3B (0.77) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL2106404 0.78 GSK3B (0.75) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL13517206 0.78 RGS4 (1.00) GSK3BGSK3ARGS4RGS8
SCHEMBL15212631 0.76 GSK3B (0.78) GSK3BGSK3ARGS4RGS8PRKCA

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