SCHEMBL27633280

SCHEMBL27633280

CC(C)(CN)n1ccc2c(NS(=O)(=O)c3cccc4ccccc34)cccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.60
HCRTR1 O43613 1/20 0.43
KCNA5 P22460 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
SLC16A3 O15427 2/20 0.41
NR3C2 P08235 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL27653798 0.84 HTR6 (0.60) HTR6SLC16A3NR3C2ALDH1A1LMNA
SCHEMBL27670927 0.81 HTR6 (0.61) HTR6ALDH1A1
SCHEMBL27659408 0.81 HTR6 (0.61) HTR6HCRTR1ALDH1A1
SCHEMBL27633279 0.80 HTR6 (0.69) HTR6HCRTR1KCNA5EDNRBEDNRA
SCHEMBL337314 0.75 HTR6 (1.00) HTR6
SCHEMBL27650865 0.70 HTR6 (0.48) HTR6ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL27653802 0.68 ALDH1A1 (0.34) ALDH1A1KDM4ECYP3A4HSD17B10GAA
SCHEMBL3257769 0.67 HCRTR1 (0.66) HCRTR1SLC16A3RECQLALDH1A1GAA
SCHEMBL6006634 0.66 CYP3A4 (0.69) HCRTR1ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL20125139 0.65 EDNRB (0.50) HTR6HCRTR1KCNA5EDNRBEDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100518736-C Indol-4 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators ESTEVE LABOR DR (ES) 2009-07-29 CN claimed
CN-1829508-A Indole-4 sulfonamide derivatives, their preparation and their use as 5-HT-6 modulators ESTEVE LABOR DR (ES) 2006-09-06 CN claimed
CN-100518736-C Indol-4 sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators ESTEVE LABOR DR (ES) 2009-07-29 CN disclosed
CN-1829508-A Indole-4 sulfonamide derivatives, their preparation and their use as 5-HT-6 modulators ESTEVE LABOR DR (ES) 2006-09-06 CN disclosed