SCHEMBL4733197

SCHEMBL4733197

CCC1(CC)c2ccccc2S(O)(O)c2cc(S(=O)(=O)NC3CCN(C(=O)O)CC3)c(C)cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 17/20 0.43
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4733195 0.91 CCR8 (0.41) CCR8KDM4EHSD17B10MEN1KMT2A
SCHEMBL4732877 0.90 SFRP1 (0.45) CCR8MEN1KMT2A
SCHEMBL4730240 0.88 CCR8 (0.39) CCR8MEN1KMT2A
SCHEMBL4735363 0.86 CCR8 (0.39) CCR8MEN1KMT2A
SCHEMBL4730495 0.84 SFRP1 (0.50) MEN1KMT2A
SCHEMBL4730139 0.81 SFRP1 (0.45) CCR8MEN1KMT2A
SCHEMBL4784267 0.80 SFRP1 (0.48) CCR8
SCHEMBL4730237 0.79 MEN1 (0.39) CCR8MEN1KMT2A
SCHEMBL4730986 0.79 SFRP1 (0.46) CCR8MEN1KMT2A
SCHEMBL4734862 0.78 MEN1 (0.41) MEN1KMT2A

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