SCHEMBL29013271

SCHEMBL29013271

Nc1nc2cccc(-c3ccccn3)c2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PI4KA P42356 1/20 0.55
PIK3CG P48736 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
TGFBR1 P36897 8/20 0.51
ASH1L Q9NR48 1/20 0.50
KDM4E B2RXH2 4/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL29013231 0.82 ASH1L (0.54) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL30311987 0.82 ASH1L (0.54) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL29013237 0.78 ASH1L (0.47) TGFBR1ASH1LKDM4ESMN1; SMN2NPC1
SCHEMBL30312094 0.78 ASH1L (0.47) TGFBR1ASH1LKDM4ESMN1; SMN2NPC1
SCHEMBL31621268 0.77 ASH1L (0.62) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL14860945 0.77 ASH1L (0.62) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL30311917 0.75 ASH1L (0.44) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL31621265 0.75 ASH1L (0.44) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL30312033 0.75 ASH1L (0.44) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL29013240 0.74 ASH1L (0.49) ASH1LKDM4ESMN1; SMN2NPC1RAB9A

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-115850263-B 2, 7-Disubstituted benzothiazole compound and application thereof 浙江工业大学 2025-06-17 CN disclosed
CN-115850263-A 2, 7-disubstituted benzothiazole compound and application thereof 浙江工业大学 2023-03-28 CN disclosed