SCHEMBL5327664

SCHEMBL5327664

Cc1c(SC(C)N(C)C)c2ccccc2n1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.47
LMNA P02545 1/20 0.45
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
TP53 P04637 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AGTR1 P30556 2/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5331543 0.92 PCSK9 (0.46) HTR6HDAC1HDAC2HDAC6KDM4E
SCHEMBL5326308 0.90 NOD1 (0.45) HTR6LMNAHDAC1HDAC2HDAC6
SCHEMBL5336637 0.90 HTR6 (0.48) HTR6LMNAHDAC1HDAC2HDAC6
SCHEMBL5330799 0.88 HTR6 (0.45) HTR6LMNAMAPT
SCHEMBL5328971 0.88 HTR6 (0.48) HTR6LMNAPKMHTT
SCHEMBL5325372 0.86 HTR6 (0.48) HTR6LMNA
SCHEMBL5327663 0.85 HTR6 (0.49) HTR6LMNAPCSK9PKMHTT
SCHEMBL5328556 0.84 HTR6 (0.50) HTR6LMNA
SCHEMBL5329812 0.84 HTR6 (0.43) HTR6LMNAPCSK9MAPT
SCHEMBL5331610 0.83 HTR6 (0.52) HTR6

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