SCHEMBL4784750

SCHEMBL4784750

O=S(=O)(NCCc1ccccc1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(Br)c12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.46
ALDH1A1 P00352 3/20 0.44
PRMT1 Q99873 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR6 P50406 2/20 0.44
MAPT P10636 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SFRP1 Q8N474 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL4783444 0.90 TBXAS1 (0.48) HTR6
SCHEMBL4785772 0.86 HTR6 (0.45) HTR6MAPT
SCHEMBL4784929 0.84 ALDH1A1 (0.45) NSD2ALDH1A1PRMT1HSD17B10HTR6
SCHEMBL4784291 0.80 TDP1 (0.54) ALDH1A1HTR6SFRP1
SCHEMBL4784579 0.80 TDP1 (0.54) ALDH1A1HTR6MAPT
SCHEMBL4780971 0.80 BRD4 (0.45) HTR6HDAC2HDAC8HDAC6
SCHEMBL14207886 0.79 ALDH1A1 (0.46) ALDH1A1HTR6
SCHEMBL4780287 0.78 ALDH1A1 (0.48) ALDH1A1HTR6SFRP1
SCHEMBL4783865 0.78 TBXAS1 (0.48) ALDH1A1
SCHEMBL4780521 0.78 TBXAS1 (0.48) ALDH1A1SFRP1

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