SCHEMBL5333542

SCHEMBL5333542

Cc1ccc(S(=O)(=O)n2c(C)c(SC(C)N(C)C)c3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR6 P50406 6/20 0.39
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
GAA P10253 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5331261 0.93 PTGDR2 (0.42) PTGDR2HTR6LMNAS1PR1
SCHEMBL5326882 0.92 HTR6 (0.42) MAPTPTGDR2POLBHTR6LMNA
SCHEMBL5326854 0.90 HTT (0.44) MAPTPTGDR2POLBALDH1A1HTR6
SCHEMBL5332244 0.89 HTR6 (0.47) MAPTALDH1A1HTR6SMN1; SMN2GAA
SCHEMBL5328962 0.86 PTGDR2 (0.53) MAPTPTGDR2POLBHTR6LMNA
SCHEMBL5329812 0.85 HTR6 (0.43) MAPTPTGDR2POLBHTR6LMNA
SCHEMBL5330204 0.84 LMNA (0.51) MAPTPTGDR2POLBHTR6LMNA
SCHEMBL5325197 0.83 HTR6 (0.52) MAPTPTGDR2POLBHTR6LMNA
SCHEMBL5330034 0.83 HTR6 (0.41) HTR6
SCHEMBL5331999 0.82 HTR6 (0.51) MAPTPTGDR2POLBHTR6

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