SCHEMBL2205372

SCHEMBL2205372

COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1[AsH]C1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.52
HTR6 P50406 8/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
DRD3 P35462 2/20 0.52
HTR1D P28221 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTR1B P28222 1/20 0.52
HTR1E P28566 1/20 0.52
HTR1F P30939 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL2172325 0.81 CYP3A4 (0.60) GHSRHTR6ALDH1A1MEN1KMT2A
SCHEMBL2365378 0.81 UTS2R (0.48) HTR6ALDH1A1MEN1KMT2ADRD2
SCHEMBL6970959 0.78 HTR6 (0.81) GHSRHTR6ALDH1A1MEN1KMT2A
SCHEMBL2303191 0.77 HTR6 (0.50) HTR6ALDH1A1MEN1KMT2ADRD2
SCHEMBL29048773 0.75 LMNA (0.79) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30532978 0.75 LMNA (0.79) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2170321 0.72 CYP3A4 (0.59) GHSRHTR6ALDH1A1MEN1KMT2A
SCHEMBL2172090 0.71 POLB (0.53) ALDH1A1MEN1KMT2ACYP3A4LMNA
SCHEMBL2170708 0.71 HTR6 (0.63) HTR6ALDH1A1MEN1KMT2ADRD2
SCHEMBL2171187 0.71 GHSR (0.53) GHSRHTR6ALDH1A1MEN1KMT2A

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-2346847-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2011-07-27 EP disclosed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO disclosed