SCHEMBL29013231

SCHEMBL29013231

Nc1nc2cccc(-c3ncccn3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.54
PIK3CD O00329 2/20 0.47
PI4KA P42356 2/20 0.47
PIK3CG P48736 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
PIP5K1C O60331 1/20 0.47
PIK3CA P42336 1/20 0.41
TGFBR1 P36897 8/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
CYP19A1 P11511 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL30311987 1.00 ASH1L (0.54) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL30312191 0.87 ASH1L (0.49) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL29013267 0.87 ASH1L (0.49) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL30312084 0.85 ASH1L (0.47) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL29013263 0.85 ASH1L (0.47) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL29013271 0.82 PIK3CD (0.55) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL30311660 0.81 ASH1L (0.44) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL29013280 0.81 ASH1L (0.44) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL14860945 0.77 ASH1L (0.62) ASH1LPIK3CDPI4KAPIK3CGPI4KB
SCHEMBL31621268 0.77 ASH1L (0.62) ASH1LPIK3CDPI4KAPIK3CGPI4KB

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-115850263-A 2, 7-disubstituted benzothiazole compound and application thereof 浙江工业大学 2023-03-28 CN disclosed