SCHEMBL2171076

SCHEMBL2171076

CC(C)c1ccc(S(=O)(=O)Nc2cccc(N(C)C3CCNCC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 4/20 0.43
PGR P06401 1/20 0.43
HTR6 P50406 5/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
LIMK2 P53671 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP19A1 P11511 1/20 0.40
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL2171618 0.88 FFAR1 (0.50) ALDH1A1LMNAHTR6LIMK2HTT
SCHEMBL2169949 0.88 ALDH1A1 (0.58) ALDH1A1LMNAHTR6LIMK2HTT
SCHEMBL2169818 0.87 HSD17B2 (0.49) ALDH1A1LMNAHTR6LIMK2HTT
SCHEMBL2170713 0.87 L3MBTL1 (0.49) ALDH1A1LMNAHTR6LIMK2HTT
SCHEMBL2171609 0.82 HTR6 (0.46) ALDH1A1LMNAPGRHTR6DRD2
SCHEMBL2169880 0.77 HTR6 (0.41) ALDH1A1LMNAHTR6LIMK2HTT
SCHEMBL2236877 0.77 HTR6 (0.40) ALDH1A1LMNAHTR6DRD2DRD3
SCHEMBL1546191 0.76 ALOX12 (0.50) SLC2A1ALDH1A1LMNAPGRHTR6
SCHEMBL2550898 0.75 DDB1 (0.36)
SCHEMBL16827668 0.74 NR3C1 (0.45) ALDH1A1KCNH2SMN1; SMN2

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 3 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 claimed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO claimed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO disclosed