SCHEMBL4731073

SCHEMBL4731073

O=C(O)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCc2ccc(F)cc2S3(=O)=O)CC1.O=S(=O)(NC1CCNCC1)c1cc2c(cc1Cl)CCc1ccc(F)cc1S2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 7/20 0.35
EPHX2 P34913 1/20 0.33
DPP4 P27487 5/20 0.33
KCNH2 Q12809 4/20 0.33
DPP7 Q9UHL4 3/20 0.33
WNT3 P56703 1/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
CCR8 P51685 2/20 0.31
RAD52 P43351 1/20 0.31
GUSB P08236 1/20 0.30

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
SCHEMBL4733498 0.89 EPHX2 (0.40) SFRP1EPHX2DPP4KCNH2DPP7
SCHEMBL4730634 0.84 WNT3 (0.37) SFRP1DPP4KCNH2DPP7WNT3
SCHEMBL4732378 0.78 CCR8 (0.45) SFRP1CCR8
SCHEMBL4734140 0.77 SFRP1 (0.45) SFRP1WNT3
SCHEMBL4730501 0.75 DPP4 (0.39) SFRP1EPHX2DPP4KCNH2DPP7
SCHEMBL4732698 0.74 GSTO1 (0.38) DPP4KCNH2DPP7ALDH1A1SMN1; SMN2
SCHEMBL4730889 0.72 SFRP1 (0.48) SFRP1WNT3HDAC8CCR8
SCHEMBL4732381 0.71 CCR8 (0.45) SFRP1CCR8
SCHEMBL4734145 0.71 SFRP1 (0.45) SFRP1WNT3
SCHEMBL4730846 0.70 DPP4 (0.39) SFRP1EPHX2DPP4KCNH2DPP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed