SCHEMBL4048974

SCHEMBL4048974

N#CC1=CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21.O=C1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NR3C1 P04150 1/20 0.41
THRB P10828 1/20 0.41
GRM5 P41594 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BRD4 O60885 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
IMPDH2 P12268 1/20 0.39
MAPK14 Q16539 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3972992 0.92 HTR6 (0.50) HTR6TP53MAPTLMNAALDH1A1
SCHEMBL3898623 0.86 HTR6 (0.56) HTR6TP53MAPTLMNAALDH1A1
SCHEMBL4050508 0.84 HTR6 (0.40) HTR6TP53MAPTLMNAALDH1A1
SCHEMBL314648 0.73 HTR2C (0.46) HTR6MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9324361 0.69 HTR6 (0.58) HTR6MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL3902873 0.68 HTR6 (0.49) HTR6TP53MAPTLMNAALDH1A1
SCHEMBL9715425 0.68 BAZ2B (0.60) LMNAALDH1A1SMN1; SMN2L3MBTL1THRB
SCHEMBL9523269 0.66 NPC1 (0.55) MAPTALDH1A1SMN1; SMN2L3MBTL1BAZ2B
SCHEMBL316166 0.66 GRM5 (0.54) HTR6LMNAALDH1A1THRBGRM5
SCHEMBL28383011 0.64 DRD2 (0.58) HTR6LMNAALDH1A1SMN1; SMN2BRD4

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