SCHEMBL6426900

SCHEMBL6426900

Cn1c(=O)sn(-c2cccc3ccccc23)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.59
HDAC6 Q9UBN7 1/20 0.59
GSK3A P49840 2/20 0.59
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
RGS4 P49798 1/20 0.46
RGS8 P57771 1/20 0.46
POLB P06746 1/20 0.44
ELANE P08246 1/20 0.42
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
GSR P00390 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30893118 1.00 GSK3B (0.59) GSK3BHDAC6GSK3AMAPTALDH1A1
SCHEMBL29239097 0.80 GSK3B (0.71) GSK3BHDAC6GSK3AMAPTALDH1A1
SCHEMBL29239077 0.79 GSK3B (0.64) GSK3BHDAC6GSK3AALDH1A1RGS4
SCHEMBL14950547 0.78 RGS4 (0.54) GSK3BHDAC6GSK3AMAPTALDH1A1
SCHEMBL29239059 0.76 GSK3B (0.76) GSK3BHDAC6GSK3ARGS4RGS8
Tideglusib SCHEMBL29357303 0.75 GSK3B (1.00) GSK3BHDAC6GSK3ARGS4RGS8
Tideglusib SCHEMBL676929 0.75 GSK3B (1.00) GSK3BHDAC6GSK3ARGS4RGS8
SCHEMBL29239076 0.74 GSK3B (0.81) GSK3BHDAC6RGS4RGS8TDP1
SCHEMBL29239083 0.72 GSK3B (0.83) GSK3BHDAC6GSK3ARGS4RGS8
SCHEMBL14941895 0.72 RGS4 (0.70) GSK3BGSK3AMAPTALDH1A1KDM4E

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 2 patents. 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
WO-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed