SCHEMBL4733498

SCHEMBL4733498

O=C(O)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)CCc2ccc(F)cc2S3(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
DPP4 P27487 7/20 0.40
DPP7 Q9UHL4 5/20 0.40
KCNH2 Q12809 4/20 0.40
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
SFRP1 Q8N474 5/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCR8 P51685 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL4731073 0.89 SFRP1 (0.35) EPHX2DPP4DPP7KCNH2DPP8
SCHEMBL4732378 0.88 CCR8 (0.45) SFRP1CCR8
SCHEMBL4734140 0.87 SFRP1 (0.45) SFRP1
SCHEMBL4730501 0.85 DPP4 (0.39) EPHX2DPP4DPP7KCNH2DPP8
SCHEMBL4730634 0.84 WNT3 (0.37) DPP4DPP7KCNH2HDAC8SFRP1
SCHEMBL4732698 0.84 GSTO1 (0.38) DPP4DPP7KCNH2HDAC8ALDH1A1
SCHEMBL4732381 0.81 CCR8 (0.45) SFRP1CCR8
SCHEMBL4734145 0.80 SFRP1 (0.45) SFRP1
SCHEMBL4730846 0.79 DPP4 (0.39) EPHX2DPP4DPP7KCNH2DPP8
SCHEMBL4733107 0.74 SFRP1 (0.43) SFRP1

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 disclosed