SCHEMBL15310344

SCHEMBL15310344

N#Cc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)O)c1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.87
CCR5 P51681 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63

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
SCHEMBL357509 0.93 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL10279000 0.89 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
SCHEMBL3710361 0.87 CCR4 (0.89) CCR4CCR5FFAR4SLCO1B1
SCHEMBL15310449 0.86 CCR4 (0.65) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356591 0.85 CCR4 (0.72) CCR4CCR5FFAR4SLCO1B1
SCHEMBL201970 0.83 CCR4 (0.68) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356927 0.83 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358395 0.83 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357566 0.82 CCR4 (1.00) CCR4
SCHEMBL358030 0.81 CCR4 (1.00) 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-B1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2013-10-16 EP disclosed