SCHEMBL11244802

SCHEMBL11244802

Cn1c(=S)n(-c2ccc(Cl)cc2)c(=O)n1CCBr

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
POLB P06746 2/20 0.38
ELANE P08246 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL11243329 0.85 GSK3A (0.44) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL11240263 0.81 GSK3A (0.41) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL11243422 0.79 GSK3A (0.50) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL11237218 0.73 MAPT (0.40) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL11240497 0.72 GSK3A (0.43) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL31442507 0.71 GSK3A (0.51) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL9623389 0.65 POLB (0.56) GSK3AGSK3BPOLBELANEMAPT
SCHEMBL11618507 0.64 GSK3A (0.39) GSK3AGSK3BPOLBKDM4EHPGD
SCHEMBL11368074 0.64 ALDH1A1 (0.47) GSK3AGSK3BPOLBMAPTKDM4E
SCHEMBL11365858 0.64 ALDH1A1 (0.51) GSK3AGSK3BPOLBMAPTKDM4E

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
US-4326878-A Herbicidal and plant-growth-regulating 1,2,4-trisubstituted-1,2,4-triazolidin-3,5-dithiones CHEVRON RESEARCH (US) 1982-04-27 US disclosed