SCHEMBL6185147

SCHEMBL6185147

O=S(=O)(Nc1ncc(Br)nc1OCc1ccco1)C1=CC(Cl)=CCC1=S

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 17/20 0.42
CCR5 P51681 1/20 0.38
EDNRA P25101 3/20 0.37

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
SCHEMBL6185693 0.86 CCR4 (0.37) CCR4
SCHEMBL6181486 0.83 CCR4 (0.57) CCR4CCR5EDNRA
SCHEMBL6185821 0.81 CCR4 (0.45) CCR4CCR5EDNRA
SCHEMBL6185920 0.80 CCR4 (0.56) CCR4CCR5EDNRA
SCHEMBL6184018 0.80 CCR4 (0.46) CCR4CCR5EDNRA
SCHEMBL6182333 0.80 CCR4 (0.46) CCR4CCR5EDNRA
SCHEMBL5111658 0.77 CCR4 (0.68) CCR4CCR5
SCHEMBL6182011 0.77 CCR4 (0.37) CCR4CCR5EDNRA
SCHEMBL6184157 0.75 CCR4 (0.39) CCR4CCR5EDNRA
SCHEMBL6180554 0.73 CCR4 (0.51) CCR4EDNRA

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