SCHEMBL4784467

SCHEMBL4784467

CC(C)c1cccc2c1c(S(=O)(=O)NC1CCS(O)(O)CC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.42
HTR1A P08908 6/20 0.39
HTR7 P34969 6/20 0.39
DRD2 P14416 2/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PLK1 P53350 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4784470 0.92 HTR6 (0.42) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL4802468 0.89 HTR1A (0.46) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL14207899 0.89 HTR6 (0.43) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL4784203 0.87 HTR6 (0.43) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL4783875 0.87 HTR6 (0.56) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL4782045 0.87 HTR6 (0.45) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL4784223 0.87 HTR1A (0.42) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL4781961 0.86 HTR6 (0.42) HTR6HTR1AHTR7DRD2ADRA1D
SCHEMBL4836991 0.84 SFRP1 (0.45) HTR6HTR1AHTR7
SCHEMBL4782531 0.83 SFRP1 (0.53) HTR1AHTR7MEN1KMT2A

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-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