SCHEMBL19797

SCHEMBL19797

COC(=O)c1ccc(C(=O)NCc2cccc(Cn3nc(NS(=O)(=O)c4ccc(Cl)s4)c4c(OC)cccc43)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 20/20 0.81
CCR5 P51681 1/20 0.77
FFAR4 Q5NUL3 1/20 0.77
SLCO1B1 Q9Y6L6 1/20 0.77

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
SCHEMBL186577 0.94 CCR4 (0.81) CCR4CCR5FFAR4SLCO1B1
SCHEMBL185591 0.91 CCR4 (0.80) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356109 0.90 CCR4 (0.79) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357889 0.90 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358836 0.89 CCR4 (0.78) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357417 0.89 CCR4 (0.78) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356901 0.89 CCR4 (0.87) CCR4CCR5FFAR4SLCO1B1
SCHEMBL357403 0.89 CCR4 (0.91) CCR4CCR5FFAR4SLCO1B1
SCHEMBL358085 0.89 CCR4 (1.00) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356665 0.88 CCR4 (0.81) 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