SCHEMBL9533642

SCHEMBL9533642

C=CCn1c(=O)sc2cc(F)c(-n3nc4c([n+]3[O-])CCCC4)cc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.36
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HIF1A Q16665 1/20 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
SCHEMBL9535743 0.86 PPOX (0.30)
SCHEMBL9536345 0.82 CNR2 (0.31)
SCHEMBL9535332 0.81 SHMT2 (0.40) SHMT2ALDH1A1GAAHIF1A
SCHEMBL10365073 0.74 SHMT2 (0.41) SHMT2
SCHEMBL9532622 0.74 MAPT (0.34)
SCHEMBL9839357 0.71 SHMT2 (0.39) SHMT2ALDH1A1GAA
SCHEMBL9534875 0.67 PPOX (0.34) ALDH1A1
SCHEMBL10413738 0.67 SHMT2 (0.36) SHMT2ALDH1A1
SCHEMBL8355924 0.67 SHMT2 (0.45) SHMT2ALDH1A1GAA
SCHEMBL9837540 0.66 SHMT2 (0.42) SHMT2ALDH1A1GAAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274066-B1 BENZOTHIAZOLONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP claimed
US-4888045-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-19 US claimed
EP-0274066-A2 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-13 EP claimed
EP-0274066-B1 BENZOTHIAZOLONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-5079368-A Chemical intermediate for herbicides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-01-07 US disclosed
US-4946961-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 US disclosed
US-4888045-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-19 US disclosed
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP disclosed
EP-0274066-A2 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-13 EP disclosed