SCHEMBL4800128

SCHEMBL4800128

O=S(=O)(NC1CCOCC1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.43
MAPT P10636 2/20 0.43
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL4782935 0.88 ALDH1A1 (0.43) HTR6MAPTBRD4ALDH1A1HTR1A
SCHEMBL4781316 0.88 HTR6 (0.43) HTR6MAPTBRD4ALDH1A1HTR1A
SCHEMBL4784843 0.88 HTR6 (0.54) HTR6MAPTHTR1AHTR7CCR8
SCHEMBL4782603 0.86 BRD4 (0.43) HTR6MAPTBRD4ALDH1A1CCR8
SCHEMBL4785881 0.85 HTR6 (0.41) HTR6MAPTBRD4ALDH1A1
SCHEMBL4781473 0.85 SFRP1 (0.46) HTR6HTR1AHTR7
SCHEMBL4782045 0.85 HTR6 (0.45) HTR6MAPTBRD4ALDH1A1HTR1A
SCHEMBL4780971 0.83 BRD4 (0.45) HTR6BRD4
SCHEMBL14207864 0.80 SFRP1 (0.47) HTR6CCR8
SCHEMBL4783125 0.80 CCR8 (0.52) HTR6BRD4CCR8

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