SCHEMBL9858016

SCHEMBL9858016

[O-][n+]1c2c(nn1-c1cc(O)c(Cl)cc1F)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL9857876 0.82 PPOX (0.43) ALDH1A1TP53HTTSMN1; SMN2NPSR1
SCHEMBL9857319 0.77 TSHR (0.36) ALDH1A1TP53HTTCASP6SMN1; SMN2
SCHEMBL10824231 0.74 PPOX (0.38)
SCHEMBL7797875 0.70
SCHEMBL9532622 0.70 MAPT (0.34) TP53HTTSMN1; SMN2
SCHEMBL9666643 0.69 PARP1 (0.36) TP53
SCHEMBL10561933 0.68 SLC34A1 (0.35)
SCHEMBL9536345 0.67 CNR2 (0.31)
SCHEMBL9858297 0.67 MAPT (0.43) ALDH1A1TP53HTTCASP6SMN1; SMN2
SCHEMBL9535743 0.66 PPOX (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61043175-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-S6143175-A TETRAHYDROBENZTRIAZOLE-1-OXIDE DERIVATIVE, PREPARATION THEREOF AND HERIBICIDE CONTAINING SAME AS ACTIVE CONSTITUENT SUMITOMO CHEM CO LTD 1986-03-01 JP disclosed
EP-0142769-A2 Tetrahydrobenzotriazoles, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-29 EP disclosed