SCHEMBL28033148

SCHEMBL28033148

Cc1ccc(S(=O)(=O)n2cc(-c3ccc(CN4CCN(C)CC4)cc3)c3cccnc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.62
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL721024 0.84 HTR6 (0.46) HTR6
SCHEMBL12066718 0.82 PTPN11 (0.51) HTR6
SCHEMBL8944259 0.81 L3MBTL1 (0.67) HTR6L3MBTL1
SCHEMBL28149181 0.80 L3MBTL1 (0.53) HTR6L3MBTL1
SCHEMBL1906556 0.79 L3MBTL1 (0.51) HTR6L3MBTL1
SCHEMBL12066713 0.79 TNIK (0.47) HTR6
SCHEMBL30280532 0.77 HTR6 (0.44) HTR6L3MBTL1
SCHEMBL28822389 0.77 HTR6 (0.50) HTR6
SCHEMBL1666756 0.76 L3MBTL1 (0.48) HTR6L3MBTL1
SCHEMBL20292779 0.75 L3MBTL1 (0.53) HTR6L3MBTL1

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
CN-104884059-A Mixed lineage kinase inhibitors for hiv/aids therapies UNIV ROCHESTER 2015-09-02 CN disclosed