SCHEMBL8708453

SCHEMBL8708453

O=C(S)c1cncc(C(=O)S)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DDO Q99489 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL51830 0.74 HCAR2 (0.70) HCAR2KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7124062 0.72 HCAR2 (0.67) HCAR2KDM4EALDH1A1MEN1KMT2A
Bromide SCHEMBL21332093 0.72 HCAR2 (0.67) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2268149 0.72 HCAR2 (0.48) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2841794 0.72 SIRT2 (0.54) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL24027304 0.72 HCAR2 (0.48) HCAR2KDM4EALDH1A1MEN1KMT2A
Fluoride SCHEMBL21331909 0.72 HCAR2 (0.67) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL21332094 0.72 HCAR2 (0.48) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL21331910 0.72 HCAR2 (0.48) HCAR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19987838 0.72 HCAR2 (0.67) HCAR2KDM4EALDH1A1MEN1KMT2A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 — — EP claimed
EP-0448543-B1 Process for preparation of fluoromethyl-substituted pyridine carbodithioates ROHM & HAAS (US) 1995-12-06 — — EP claimed
EP-0448542-B1 Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates ROHM & HAAS (US) 1995-11-22 — — EP claimed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 — — WO claimed
US-5162536-A Herbicide Intermediate MONSANTO COMPANY (US) 1992-11-10 — — US claimed
US-5116991-A Dehydration of 4-alkyl-2,6-bis(trifluoromethyl)-2,6-bis (hydroxy)-piperidine-3,5-dicarboxylic acid thioesters with hydrochloric acid and phosphorus chloride MONSANTO COMPANY (US) 1992-05-26 — — US claimed
US-5092918-A Alkylenedicarboxylate Crystallization Inhibition MONSANTO COMPANY (US) 1992-03-03 — — US claimed
US-5055583-A Reactive contact with catalytic 1,2-diazabicyclo(2.2.2)octane, salt formation; dehydrohalogenation MONSANTO COMPANY (US) 1991-10-08 — — US claimed
EP-0448543-A2 Process for preparation of fluoromethyl-substituted pyridine carbodithioates ROHM AND HAAS COMPANY (US) 1991-09-25 — — EP claimed
EP-0448542-A2 Process for preparation of fluoromethyl-substituted dihydropyridine carbodithioates ROHM AND HAAS COMPANY (US) 1991-09-25 — — EP claimed
JP-4217667-A — — None — — JP disclosed
EP-0603240-B1 SAFENING HERBICIDAL PYRAZOLYLSULFONYLUREAS MONSANTO CO (US) 1998-12-02 — — EP disclosed
EP-0448544-B1 Process for preparation of fluoromethyl-substituted piperidine carbodithioates ROHM & HAAS (US) 1996-07-03 — — EP disclosed
US-5512536-A HERBICIDE ROHN AND HAAS COMPANY (US) 1996-04-30 — — US disclosed
US-5502025-A ANTIDOTES FOR HERBICIDES AND PLANT SAFTENING AGENTS MONSANTO COMPANY (US) 1996-03-26 — — US disclosed
EP-0448541-A2 Process for preparation of fluoromethyl-substituted pyridine carbodithioates ROHM AND HAAS COMPANY (US) 1991-09-25 — — EP disclosed
EP-0448543-A2 Process for preparation of fluoromethyl-substituted pyridine carbodithioates ROHM AND HAAS COMPANY (US) 1991-09-25 — — EP disclosed
EP-0448544-A2 Process for preparation of fluoromethyl-substituted piperidine carbodithioates ROHM AND HAAS COMPANY (US) 1991-09-25 — — EP disclosed
US-5051512-A Reaction of trifluoroacetic acid thiomethyl ester and ammonia, reaction with an alkyl aldehyde and heating MONSANTO COMPANY (US) 1991-09-24 — — US disclosed
US-4936901-A Formulations of water-dispersible granules and process for preparation thereof MONSANTO COMPANY (US) 1990-06-26 — — US disclosed
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