SCHEMBL5010707

SCHEMBL5010707

CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Oc1cccc(Cl)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.60
HTT P42858 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TP53 P04637 1/20 0.38
PGR P06401 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KCNA5 P22460 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5010703 0.82 HSD11B1 (0.46) HSD11B1HTTHTR2AHTR2CSLC6A4
SCHEMBL8296687 0.75 HSD11B1 (1.00) HSD11B1HTTMAPTPOLBPGR
SCHEMBL5012972 0.69 HTR2A (0.53) HTTHTR2AHTR2CSLC6A4MAPT
SCHEMBL8389644 0.69 HTR1D (0.57) HSD11B1MAPTMRGPRX4L3MBTL1
SCHEMBL8390609 0.69 LMNA (0.57) HSD11B1MAPTMRGPRX4L3MBTL1
SCHEMBL11508991 0.68 TLR8 (0.52) HSD11B1SLC6A4MAPTMRGPRX4L3MBTL1
SCHEMBL533000 0.68 ACLY (0.68) HTTHTR2AHTR2CSLC6A4TP53
SCHEMBL5010583 0.67 HTR2A (0.81) HTR2AHTR2CSLC6A4MAPTTP53
SCHEMBL8703660 0.67 HSD11B1 (0.54) HSD11B1HTR2ASLC6A4MAPTPOLB
SCHEMBL14568177 0.67 ALDH1A1 (0.46) HSD11B1HTTMAPTPOLBTDP1

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
WO-2008093919-A1 USE OF N-BENZYL-N-(2-DIMETHYLAMINO-ETHYL)BENZENESULFONAMIDE DERIVATIVES FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO claimed
WO-2008093919-A1 USE OF N-BENZYL-N-(2-DIMETHYLAMINO-ETHYL)BENZENESULFONAMIDE DERIVATIVES FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed