SCHEMBL8430463

SCHEMBL8430463

O=S(=O)(O)c1ncccc1C(F)(F)F.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.51
HSD11B1 P28845 7/20 0.40
SLC40A1 Q9NP59 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
RBP4 P02753 1/20 0.37
EPHX2 P34913 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL8430567 0.98 NFE2L2 (0.52) NFE2L2HSD11B1SLC40A1SLC22A12GAA
Hydrochloric Acid SCHEMBL27792294 0.96 NFE2L2 (0.51) NFE2L2HSD11B1SLC40A1SLC22A12GAA
SCHEMBL5713263 0.81 COMT (0.38) NFE2L2GAATDP1
SCHEMBL31590466 0.80 NFE2L2 (0.52) NFE2L2HSD11B1SLC40A1SLC22A12GAA
SCHEMBL6917349 0.80 NFE2L2 (0.52) NFE2L2HSD11B1SLC40A1SLC22A12EPHX2
SCHEMBL2704725 0.80 NFE2L2 (0.52) NFE2L2HSD11B1SLC40A1SLC22A12GAA
SCHEMBL8430459 0.79 NFE2L2 (0.51) NFE2L2HSD11B1SLC40A1SLC22A12
SCHEMBL14645410 0.74 GAA (0.45) NFE2L2SLC40A1SLC22A12GAATDP1
SCHEMBL10361387 0.73 NFE2L2 (0.47) NFE2L2HSD11B1SLC40A1SLC22A12GAA
SCHEMBL29516525 0.73 NFE2L2 (0.40) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 EP disclosed