SCHEMBL26339

SCHEMBL26339

COc1cc(F)cc2c1c(NS(=O)(=O)c1ccc(C)c(F)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 19/20 0.86
CCR5 P51681 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
KAT7 O95251 1/20 0.44
KAT6B Q8WYB5 1/20 0.44
KAT6A Q92794 1/20 0.44
KAT5 Q92993 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44

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
SCHEMBL12473981 0.93 CCR4 (0.75) CCR4CCR5FFAR4SLCO1B1KAT7
SCHEMBL18861 0.93 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30230 0.91 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL29894 0.85 CCR4 (0.63) CCR4KAT7KAT6BKAT6AKAT5
SCHEMBL18571 0.84 CCR4 (0.62) CCR4CCR5FFAR4SLCO1B1KAT7
SCHEMBL357053 0.83 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30536 0.83 CCR4 (0.83) CCR4CCR5FFAR4SLCO1B1
SCHEMBL30456 0.83 CCR4 (0.60) CCR4CCR5FFAR4SLCO1B1KAT7
SCHEMBL28478 0.82 CCR4 (0.65) CCR4CCR5FFAR4SLCO1B1KAT7
SCHEMBL30317 0.82 CCR4 (0.65) CCR4CCR5FFAR4SLCO1B1KAT7

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
WO-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed
WO-2012025473-A1 CC.CHEMOKINE RECEPTOR 4 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed