SCHEMBL5325199

SCHEMBL5325199

CSc1ccc2c(c1)c(SCCN(C)C)c(C)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.40
MAPT P10636 3/20 0.37
CYP2C9 P11712 1/20 0.35
AKR1B1 P15121 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5330910 0.92 HTR6 (0.51) HTR6PTGDR2
SCHEMBL5328058 0.92 HTR6 (0.49) HTR6PTGDR2
SCHEMBL5331429 0.90 HTR6 (0.42) HTR6PTGDR2POLB
SCHEMBL5330206 0.86 HTR6 (0.48) HTR6PTGDR2MAPT
SCHEMBL5328966 0.86 PTGDR2 (0.55) HTR6PTGDR2MAPT
SCHEMBL5329816 0.86 HTR6 (0.41) HTR6PTGDR2MAPTCA12CA2
SCHEMBL5332004 0.84 HTR6 (0.58) HTR6PTGDR2
SCHEMBL5333545 0.84 HTR6 (0.41) HTR6PTGDR2MAPTPOLB
SCHEMBL5331545 0.84 HTR6 (0.51) HTR6
SCHEMBL5330895 0.83 HTR6 (0.41) HTR6PTGDR2

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