SCHEMBL186109

SCHEMBL186109

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2C(=O)OCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.62

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
SCHEMBL186108 0.85 CCR4 (0.63) CCR4
SCHEMBL186607 0.76 CCR4 (0.40) CCR4
SCHEMBL356170 0.76 CCR4 (1.00) CCR4
SCHEMBL186421 0.75 CCR4 (0.88) CCR4
SCHEMBL359285 0.75 CCR4 (1.00) CCR4
SCHEMBL10234777 0.75 CCR4 (0.90) CCR4
SCHEMBL358630 0.75 CCR4 (1.00) CCR4
SCHEMBL15310351 0.74 CCR4 (0.74) CCR4
SCHEMBL10235309 0.74 CCR4 (0.90) CCR4
SCHEMBL358574 0.74 CCR4 (0.90) 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 2 patents. 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
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed