SCHEMBL4783889

SCHEMBL4783889

CC(C)c1cccc2c1c(S(=O)(=O)NCCC1CCOCC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
HTR6 P50406 16/20 0.40
DRD2 P14416 2/20 0.35
HTR2A P28223 1/20 0.35
NPC1 O15118 1/20 0.35
BCHE P06276 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL4782077 0.91 NPC1 (0.44) HTR6DRD2HTR2ANPC1BCHE
SCHEMBL4780971 0.86 BRD4 (0.45) BRD4HTR6NPC1BCHE
SCHEMBL4785064 0.85 TSHR (0.48) HTR6
SCHEMBL4782045 0.84 HTR6 (0.45) BRD4HTR6DRD2HTR2AHTR1A
SCHEMBL4784929 0.81 ALDH1A1 (0.45) HTR6
SCHEMBL4782126 0.81 KEAP1 (0.44) BRD4HTR6DRD2HTR2ANPC1
SCHEMBL4780287 0.79 ALDH1A1 (0.48) HTR6DRD2HTR2A
SCHEMBL4783496 0.79 NPC1 (0.46) HTR6NPC1
SCHEMBL4782615 0.78 NPC1 (0.46) HTR6DRD2HTR2ANPC1
SCHEMBL4781621 0.78 HTR6 (0.41) HTR6DRD2HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed