SCHEMBL9857407

SCHEMBL9857407

C#CCOc1cc(-n2nc3c([n+]2[O-])CCCC3)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPOX P50336 11/20 0.35
PGK1 P00558 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
CASP6 P55212 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9862838 0.84 PPOX (0.50) PPOX
SCHEMBL9857876 0.83 PPOX (0.43) PPOXALDH1A1TP53HTTSMN1; SMN2
SCHEMBL10824231 0.81 PPOX (0.38) PPOX
SCHEMBL9858016 0.77 ALDH1A1 (0.31) ALDH1A1TP53HTTCASP6SMN1; SMN2
SCHEMBL203565 0.76 PPOX (0.39) PPOXPGK1
SCHEMBL6438117 0.76 PPOX (0.36) PPOXPGK1
SCHEMBL10560134 0.74 PPOX (0.37) PPOXPGK1
SCHEMBL10751373 0.73 PPOX (0.34) PPOXPGK1TP53
SCHEMBL18470233 0.72 PPOX (0.40) PPOXPGK1ALDH1A1NPSR1
SCHEMBL29448833 0.70 PPOX (0.51) PPOX

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-0142769-B1 TETRAHYDROBENZOTRIAZOLES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-02 EP claimed
US-4668278-A Benzotriazoles, and their production and use 4-halophenyl-tetrahydrobenzotriazloes as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-26 US claimed
EP-0142769-A2 Tetrahydrobenzotriazoles, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-29 EP claimed
JP-60123477-A None JP disclosed
EP-0142769-B1 TETRAHYDROBENZOTRIAZOLES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-02 EP disclosed
US-4740619-A HERBILIDE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-26 US disclosed
US-4668278-A Benzotriazoles, and their production and use 4-halophenyl-tetrahydrobenzotriazloes as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-26 US disclosed
JP-S60123477-A 4,5,6,7-TETRAHYDRO-1,2,3-BENZTRIAZOL-1-OXIDE DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1985-07-02 JP disclosed
EP-0142769-A2 Tetrahydrobenzotriazoles, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-29 EP disclosed