SCHEMBL4050508

SCHEMBL4050508

N#CC1=CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21.N#CC1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR3C1 P04150 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
IMPDH2 P12268 1/20 0.36
PGR P06401 1/20 0.35
RORC P51449 1/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL3902873 0.88 HTR6 (0.49) HTR6TP53MAPTNR3C1LMNA
SCHEMBL3972992 0.87 HTR6 (0.50) HTR6TP53MAPTDDB1CRBN
SCHEMBL4048974 0.84 HTR6 (0.43) HTR6TP53MAPTNR3C1LMNA
SCHEMBL316237 0.71 HTR6 (0.62) HTR6HTR2C
SCHEMBL314648 0.69 HTR2C (0.46) HTR6MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3904392 0.69 HTR6 (0.67) HTR6
SCHEMBL3898623 0.68 HTR6 (0.56) HTR6TP53MAPTNR3C1LMNA
SCHEMBL3901342 0.68 HTR6 (0.70) HTR6LMNASMN1; SMN2ALDH1A1L3MBTL1
Oxalic Acid SCHEMBL3904058 0.66 HTR6 (0.61) HTR6
SCHEMBL3902319 0.64 HTR6 (0.59) 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-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed