SCHEMBL5332694

SCHEMBL5332694

[CH2]C[S+]([O-])c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(OCC)cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.49
▸ TSHR P16473 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.38

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 0.79 HTR6 (0.56) HTR6DRD2HTR7
SCHEMBL5327454 0.76 HTR6 (0.58) HTR6DRD2HTR2AHTR7
SCHEMBL5327431 0.75 HTR6 (0.58) HTR6DRD2HTR7
SCHEMBL5304701 0.73 HTR6 (0.49) HTR6
SCHEMBL5324133 0.73 HTR6 (0.57) HTR6HTR2A
SCHEMBL13504541 0.70 TSHR (0.48) HTR6TSHRKDM4EHSD17B10GAA
SCHEMBL5334644 0.69 HTR6 (0.59) HTR6HTR2A
SCHEMBL13504542 0.69 TSHR (0.49) HTR6TSHRKDM4EHSD17B10DRD2
SCHEMBL5328799 0.68 HTR6 (0.56) HTR6
Hydrochloric Acid SCHEMBL7437799 0.67 HTR6 (0.78) HTR6DRD2HTR2AHTR7

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 claimed
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