SCHEMBL28052618

SCHEMBL28052618

SC1Sc2ccccc2N1S.[Zn]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ BCHE P06276 3/20 0.33
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ GSK3B P49841 2/20 0.30

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
SCHEMBL7138110 0.75 MAOA (0.43) IDO1MAOABCHEPTGS1PTGS2
SCHEMBL9720874 0.73 MAOA (0.33) IDO1MAOABCHEPTGS1PTGS2
SCHEMBL11388416 0.72 POLB (0.33) IDO1MAOABCHEPTGS1PTGS2
SCHEMBL8615381 0.72 GSK3B (0.37) IDO1MAOABCHEGSK3B
SCHEMBL9256680 0.71 BCHE (0.34) IDO1MAOABCHEGSK3B
SCHEMBL7935765 0.71 MAOA (0.35) IDO1MAOABCHEPTGS1PTGS2
SCHEMBL28332817 0.69 BCHE (0.44) BCHE
SCHEMBL29106717 0.68 GSK3B (0.44) BCHEGSK3B
SCHEMBL8166963 0.67 BCHE (0.39) IDO1BCHE
SCHEMBL11547668 0.64 GSK3B (0.40) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105432625-B Polybenzobisoxazole zinc and sterol demethylation inhibitor class(DMIs)The composition and its preparation of fungicide and application 浙江新农化工股份有限公司 2018-07-27 — — CN disclosed
CN-105394050-B The composition of 2-mercaptobenzothiazole zinc and succinate dehydrogenase inhibitors class (SDHI) fungicide 浙江新农化工股份有限公司 2018-05-08 — — CN disclosed
CN-105454249-B Bactericidal composition and its preparation and application containing 2 mercaptobenzothiazole zincs 浙江新农化工股份有限公司 2018-03-02 — — CN disclosed
CN-105454250-B The composition of 2 mercaptobenzothiazole zincs and mitochondrial cytochrome enzyme inhibitor series bactericidal agent 浙江新农化工股份有限公司 2018-01-30 — — CN disclosed
CN-105454249-A Bactericidal composition comprising 2-mercaptobenzothiazole zinc, and preparation and application thereof ZHEJIANG XINNONG CHEMICAL CO LTD 2016-04-06 — — CN disclosed
CN-105454250-A Zinc 2-mercaptobenzothiazole and mitochondrial cytochrome enzyme inhibitor bactericide composition ZHEJIANG XINNONG CHEMICAL CO LTD 2016-04-06 — — CN disclosed
CN-105432625-A Composition containing zinc 2-mercaptobenzothiazole and sterol demethylation inhibitors (DMIs) bactericide, and preparation and application thereof ZHEJIANG XINNONG CHEMICAL CO LTD 2016-03-30 — — CN disclosed
CN-105394050-A Zinc 2-mercaptobenzothiazole and succinate dehydrogenase inhibitor (SDHI) bactericide composition ZHEJIANG XINNONG CHEMICAL CO LTD 2016-03-16 — — CN disclosed
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