SCHEMBL5327431

SCHEMBL5327431

[CH2]C[S+]([O-])c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.58
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ HTR1F P30939 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL5331844 0.88 HTR6 (0.56) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5331965 0.84 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5304701 0.84 HTR6 (0.49) HTR6PPARGPPARDPPARA
SCHEMBL5327454 0.81 HTR6 (0.58) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5324133 0.78 HTR6 (0.57) HTR6
SCHEMBL945681 0.77 HTR6 (0.76) HTR6PPARGPPARDPPARA
SCHEMBL947469 0.76 HTR6 (0.74) HTR6PPARGPPARDPPARA
SCHEMBL5332694 0.75 HTR6 (0.49) HTR6DRD2HTR7
SCHEMBL945661 0.74 KDM4E (0.76) HTR6CA2CA9MEN1KMT2A
SCHEMBL30542060 0.74 KDM4E (0.76) HTR6CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007020653-A1 THIOETHER DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 — — WO disclosed
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