SCHEMBL29239055

SCHEMBL29239055

O=c1sn(Cc2ccccc2)c(=O)n1CCCl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.76
GSK3A P49840 4/20 0.76
RGS4 P49798 8/20 0.64
RGS8 P57771 8/20 0.64
PRKCA P17252 3/20 0.60
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 0.54
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL23763548 0.87 GSK3B (0.77) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL2107216 0.86 GSK3B (1.00) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL15210819 0.86 GSK3B (0.73) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL29239093 0.83 GSK3B (0.69) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL15212631 0.82 GSK3B (0.78) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL2107221 0.78 RGS4 (1.00) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL18691723 0.78 GSK3B (0.67) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL2107561 0.77 GSK3B (1.00) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL29239069 0.77 GSK3B (0.74) GSK3BGSK3ARGS4RGS8PRKCA
SCHEMBL15216788 0.77 GSK3B (0.59) 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