SCHEMBL6028784

SCHEMBL6028784

COc1nccc(C(F)(F)F)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 2/20 0.44
▸ NFE2L2 Q16236 10/20 0.43
▸ CCR4 P51679 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ SCN5A Q14524 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ AHR P35869 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31121360 0.84 SLC22A12 (0.44) SLC22A12NFE2L2CCR4LRRK2HSD11B1
SCHEMBL31121359 0.84 SLC22A12 (0.44) SLC22A12NFE2L2CCR4LRRK2HSD11B1
SCHEMBL4394771 0.84 SLC22A12 (0.44) SLC22A12NFE2L2CCR4LRRK2HSD11B1
SCHEMBL28145289 0.76 CSNK2A1 (0.36) NFE2L2CCR4LRRK2MEN1KMT2A
SCHEMBL24246943 0.74 SLC22A12 (0.44) SLC22A12NFE2L2LRRK2AHR
Hydrochloric Acid SCHEMBL28293560 0.74 NFE2L2 (0.40) NFE2L2CCR4LRRK2SCN9AMEN1
SCHEMBL29488309 0.73 SLC22A12 (0.39) SLC22A12NFE2L2SCN5ASCN9A
SCHEMBL23012638 0.73 SLC22A12 (0.39) SLC22A12NFE2L2SCN5ASCN9A
SCHEMBL13415859 0.73 SLC22A12 (0.40) SLC22A12NFE2L2LRRK2AHR
SCHEMBL9280550 0.73 SLC22A12 (0.40) SLC22A12NFE2L2LRRK2SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732390-A2 A HERBICIDAL COMBINATION Syngenta Participations AG (CH) 2006-12-20 — — EP claimed
WO-2005092101-A2 A HERBICIDAL COMBINATION SYNGENTA PARTICIPATIONS AG (CH) 2005-10-06 — — WO claimed
EP-1732390-A2 A HERBICIDAL COMBINATION Syngenta Participations AG (CH) 2006-12-20 — — EP disclosed
WO-2005092101-A2 A HERBICIDAL COMBINATION SYNGENTA PARTICIPATIONS AG (CH) 2005-10-06 — — WO disclosed
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