SCHEMBL186432

SCHEMBL186432

COc1ccc(F)c2c1c(NS(=O)(=O)c1cccs1)nn2Cc1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 19/20 0.56
CCR5 P51681 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL185247 0.88 CCR4 (0.59) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358217 0.87 CCR4 (0.73) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186312 0.85 CCR4 (0.56) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185924 0.82 CCR4 (0.51) CCR4
SCHEMBL185668 0.78 CCR4 (0.53) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185631 0.78 CCR4 (0.41) CCR4
SCHEMBL186431 0.77 CCR4 (0.41) CCR4
SCHEMBL186085 0.75 CCR4 (0.75) CCR4CCR5FFAR4SLCO1B1
SCHEMBL355874 0.75 CCR4 (0.79) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357460 0.75 CCR4 (0.79) CCR4CCR5FFAR4SLCO1B1

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