SCHEMBL29186750

SCHEMBL29186750

COc1ccc2c(c1)SC(C=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ SNCA P37840 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ NOX1 Q9Y5S8 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40

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
SCHEMBL29114120 0.88 NOX1 (0.42) MAOAMAOBSNCAALDH1A1KDM4E
SCHEMBL16471403 0.77 SNCA (0.53) MAOAMAOBSNCAALDH1A1KDM4E
SCHEMBL23916323 0.76 SNCA (0.42) MAOAMAOBSNCAALDH1A1KDM4E
SCHEMBL27507927 0.76 CA9 (0.31) CA9
SCHEMBL27704528 0.76 TGM2 (0.40) SNCAMAPTSMN1; SMN2CA12CA1
SCHEMBL28246279 0.76 NOX1 (0.38) MAOAMAOBALDH1A1KDM4ENOX1
SCHEMBL20080119 0.72 SNCA (0.48) MAOAMAOBSNCAALDH1A1KDM4E
SCHEMBL18885231 0.71 IDO1 (0.52) MAOASNCAALDH1A1KDM4ENOX1
SCHEMBL8399480 0.69 PDE3B (0.44) MAOAMAOBSNCAALDH1A1CA2
SCHEMBL29951858 0.69 MAOA (0.48) MAOAMAOBSNCAALDH1A1NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354953-B Herbicidal composition containing benzothiazole compounds 西北农林科技大学 2024-07-16 — — CN disclosed
CN-117820253-A 3, 6-disubstituted benzothiazole compound and synthesis and application thereof 西北农林科技大学 2024-04-05 — — CN disclosed
CN-117143092-A Benzothiazole compound and synthesis and application thereof 西北农林科技大学 2023-12-01 — — CN disclosed
CN-116554162-A Benzothiazole compound and synthesis and application thereof 西北农林科技大学 2023-08-08 — — CN disclosed
CN-116354953-A Herbicidal composition containing benzothiazole compounds 西北农林科技大学 2023-06-30 — — CN disclosed
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