SCHEMBL4617898

SCHEMBL4617898

CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCSC(O)(O)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
HTR7 P34969 7/20 0.36
DRD2 P14416 3/20 0.36
HTR6 P50406 3/20 0.36
HTR2A P28223 1/20 0.35
SFRP1 Q8N474 11/20 0.35
WNT3 P56703 4/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL4619043 0.85 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4617920 0.83 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4617601 0.81 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4616210 0.81 KDM4E (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4617737 0.80 ALDH1A1 (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4618933 0.80 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4617906 0.79 SFRP1 (0.56) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6103313 0.79 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4615580 0.78 IKBKB (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6102396 0.77 SFRP1 (0.51) SFRP1WNT3

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-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed