SCHEMBL186058

SCHEMBL186058

COc1cccc2c1c(NS(=O)(=O)c1cccs1)nn2Cc1cccc(CNC(=O)NC(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.64
CCR5 P51681 1/20 0.64
FFAR4 Q5NUL3 1/20 0.64
SLCO1B1 Q9Y6L6 1/20 0.64

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
SCHEMBL357681 0.90 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357265 0.88 CCR4 (0.82) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186962 0.84 CCR4 (0.60) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186096 0.83 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186085 0.83 CCR4 (0.75) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310325 0.80 CCR4 (0.58) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185247 0.80 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186060 0.80 CCR4 (0.75) CCR4
SCHEMBL185658 0.80 CCR4 (0.58) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186310 0.79 CCR4 (0.73) CCR4

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
EP-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed