SCHEMBL16014649

SCHEMBL16014649

CS(=O)(=O)n1ccc2cc(-c3c(Cl)c[c]cc3Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.44
RAPGEF4 Q8WZA2 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 1/20 0.32
FABP4 P15090 1/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL17394163 0.73 HTR6 (0.36) HTR6
SCHEMBL17402825 0.71
SCHEMBL12994620 0.71 FABP4 (0.54) HTR6RAPGEF4POLBL3MBTL1MAPT
SCHEMBL8386471 0.69 PRKCI (0.55) HTR6RAPGEF4POLBL3MBTL1MAPT
SCHEMBL3021216 0.69 FABP4 (0.52) HTR6RAPGEF4POLBL3MBTL1HTT
SCHEMBL2302805 0.69 HTR6 (0.42) HTR6RAPGEF4POLBL3MBTL1MAPT
SCHEMBL8503313 0.67 HTR6 (0.44) HTR6RAPGEF4POLBL3MBTL1MAPT
SCHEMBL17812873 0.67 HTR6 (0.45) HTR6RAPGEF4POLBL3MBTL1MAPT
SCHEMBL3217384 0.66 HTR6 (0.45) HTR6RAPGEF4L3MBTL1MAPTHTT
SCHEMBL20946417 0.66 HTR6 (0.42) 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
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed