SCHEMBL4637488

SCHEMBL4637488

NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cc(Cc2ccc(N3CCOCC3)nc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.47
SFRP1 Q8N474 1/20 0.45
PIK3C3 Q8NEB9 2/20 0.45
AKT1 P31749 4/20 0.44
MTOR P42345 3/20 0.44
KDM4E B2RXH2 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NAMPT P43490 1/20 0.39

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
SCHEMBL4730694 0.75 SFRP1 (0.63) PIK3CASFRP1PIK3C3KDM4E
SCHEMBL4637484 0.74 SFRP1 (0.62) PIK3CASFRP1KDM4ENAMPT
SCHEMBL6101796 0.68 SFRP1 (0.60) SFRP1
SCHEMBL4636730 0.66 HTR2A (0.41) SFRP1
SCHEMBL4370841 0.65 ALDH1A1 (0.71) KDM4E
SCHEMBL4638272 0.65 SFRP1 (0.59) SFRP1MTORKDM4ENAMPT
SCHEMBL21469915 0.64 PIK3CA (1.00) PIK3CAPIK3C3AKT1MTOR
SCHEMBL29922696 0.64 PIK3CA (1.00) PIK3CAPIK3C3AKT1MTOR
SCHEMBL14903597 0.64 CYP11B1 (0.60) KDM4ECYP11B1CYP11B2
SCHEMBL8182389 0.64 AOC3 (0.60) KDM4ECYP11B1CYP11B2

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