SCHEMBL20073

SCHEMBL20073

CCCCCCOC(=O)CCC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.75
CCR5 P51681 1/20 0.69
FFAR4 Q5NUL3 1/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69

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
SCHEMBL20320 0.99 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL19640 0.97 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL19306 0.94 CCR4 (0.76) CCR4CCR5FFAR4SLCO1B1
SCHEMBL22748 0.92 CCR4 (0.77) CCR4CCR5FFAR4SLCO1B1
SCHEMBL19321 0.92 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
SCHEMBL19573 0.91 CCR4 (0.86) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186636 0.88 CCR4 (0.86) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356024 0.88 CCR4 (0.86) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357403 0.88 CCR4 (0.91) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186696 0.87 CCR4 (0.82) 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
WO-2012025474-A1 INDAZOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-01 WO disclosed