SCHEMBL4782045

SCHEMBL4782045

CC(C)c1cccc2c1c(S(=O)(=O)NC1CCOCC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.45
HTR1A P08908 5/20 0.40
HTR7 P34969 5/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 3/20 0.36
HTR2A P28223 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CCR8 P51685 1/20 0.35

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
SCHEMBL4784203 0.88 HTR6 (0.43) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4802468 0.88 HTR1A (0.46) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4783875 0.88 HTR6 (0.56) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL14207899 0.88 HTR6 (0.43) HTR6HTR1AHTR7ALDH1A1DRD2
SCHEMBL4784467 0.87 HTR6 (0.42) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4784470 0.87 HTR6 (0.42) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4781316 0.87 HTR6 (0.43) HTR6HTR1AHTR7BRD4ALDH1A1
SCHEMBL4781961 0.87 HTR6 (0.42) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4784223 0.86 HTR1A (0.42) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4782077 0.86 NPC1 (0.44) HTR6HTR1AHTR7ALDH1A1DRD2

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