SCHEMBL28891760

SCHEMBL28891760

O=c1sn(CCCCN2CCOCC2)c(=O)n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.60
GSK3A P49840 3/20 0.58
PRKCA P17252 2/20 0.54
POLB P06746 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
RGS4 P49798 3/20 0.51
RGS8 P57771 3/20 0.51
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
CYP2D6 P10635 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
SCHEMBL28891665 0.87 GSK3B (0.59) GSK3BGSK3APRKCASIGMAR1RGS4
SCHEMBL28891769 0.86 GSK3B (0.61) GSK3BGSK3APRKCASIGMAR1RGS4
SCHEMBL28891819 0.85 GSK3B (0.60) GSK3BGSK3APRKCAPOLBSIGMAR1
Hydrochloric Acid SCHEMBL28891672 0.85 GSK3B (0.60) GSK3BGSK3APRKCASIGMAR1RGS4
SCHEMBL26420836 0.82 GSK3B (0.66) GSK3BGSK3APRKCASIGMAR1RGS4
SCHEMBL28891701 0.81 GSK3B (0.55) GSK3BGSK3APRKCASIGMAR1RGS4
Hydrochloric Acid SCHEMBL28891691 0.81 GSK3B (0.55) GSK3BGSK3APRKCARGS4RGS8
SCHEMBL26420835 0.81 GSK3B (0.64) GSK3BGSK3APRKCASIGMAR1RGS4
Hydrochloric Acid SCHEMBL28891664 0.81 GSK3B (0.60) GSK3BGSK3APRKCASIGMAR1RGS4
SCHEMBL28891688 0.80 GSK3B (0.68) GSK3BGSK3APRKCAPOLBRGS4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675653-B Aminoalkyl substituted 1,2, 4-thiadiazolidine-3, 5-dione compound, preparation method and application thereof 中国药科大学 2024-10-01 CN disclosed
CN-116675653-A Aminoalkyl substituted 1,2, 4-thiadiazolidine-3, 5-dione compound, preparation method and application thereof 中国药科大学 2023-09-01 CN disclosed
CN-115197167-B 1,2, 4-thiadiazolidine-3, 5-dione compound, and preparation method and application thereof 中国药科大学 2023-07-28 CN disclosed
CN-115197167-A 1,2,4-thiadiazolidine-3,5-diketone compound and preparation method and application thereof 中国药科大学 2022-10-18 CN disclosed