SCHEMBL186310

SCHEMBL186310

COc1ccccc1Cn1nc(NS(=O)(=O)c2cccs2)c2c(OC)cccc21

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 17/20 0.73
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL186060 0.87 CCR4 (0.75) CCR4
SCHEMBL186085 0.85 CCR4 (0.75) CCR4
SCHEMBL356170 0.85 CCR4 (1.00) CCR4
SCHEMBL186096 0.82 CCR4 (0.77) CCR4
SCHEMBL185247 0.82 CCR4 (0.59) CCR4
SCHEMBL186962 0.81 CCR4 (0.60) CCR4
SCHEMBL185658 0.81 CCR4 (0.58) CCR4
SCHEMBL357681 0.81 CCR4 (0.77) CCR4
SCHEMBL186058 0.79 CCR4 (0.64) CCR4
SCHEMBL185345 0.79 CCR4 (0.61) 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