SCHEMBL6182590

SCHEMBL6182590

COc1nc(Br)cnc1NS(=O)(=O)c1sccc1Br

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 16/20 0.72
CCR5 P51681 1/20 0.61
EDNRA P25101 4/20 0.57

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
SCHEMBL5106090 0.81 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL5764800 0.79 CCR4 (0.79) CCR4CCR5EDNRA
SCHEMBL5111837 0.79 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL5106654 0.78 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL5105666 0.78 CCR4 (0.82) CCR4CCR5EDNRA
SCHEMBL5763164 0.77 CCR4 (0.70) CCR4CCR5EDNRA
SCHEMBL1731921 0.77 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL31274161 0.76 CCR4 (0.66) CCR4CCR5EDNRA
SCHEMBL5105223 0.76 CCR4 (1.00) CCR4CCR5EDNRA
SCHEMBL6181343 0.75 CCR4 (0.54) CCR4CCR5

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-1458715-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-12-07 EP claimed