SCHEMBL15310767

SCHEMBL15310767

COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNCC(N)=O)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.79
CCR5 P51681 1/20 0.75
FFAR4 Q5NUL3 1/20 0.75
SLCO1B1 Q9Y6L6 1/20 0.75

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
Trifluoroacetic Acid SCHEMBL186602 0.95 CCR4 (0.73) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310415 0.93 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356901 0.91 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358084 0.90 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357889 0.88 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186214 0.88 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
Trifluoroacetic Acid SCHEMBL357549 0.88 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310424 0.88 CCR4 (0.78) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310421 0.88 CCR4 (0.78) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186735 0.88 CCR4 (0.80) 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-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP claimed