SCHEMBL5103019

SCHEMBL5103019

COc1nc(Br)cnc1NS(=O)(=O)c1cccs1.O=S(=O)(Nc1ncc(Br)nc1OCc1ccco1)c1ccc(Cl)s1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 18/20 0.65
CCR5 P51681 2/20 0.65
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL5111658 0.90 CCR4 (0.68) CCR4CCR5MEN1KMT2A
SCHEMBL6604764 0.89 CCR4 (0.52) CCR4CCR5KDM4EMEN1KMT2A
SCHEMBL5106090 0.81 CCR4 (1.00) CCR4CCR5KDM4E
SCHEMBL5105223 0.81 CCR4 (1.00) CCR4CCR5
SCHEMBL5617358 0.78 KDM4E (0.45) CCR4CCR5KDM4EMEN1KMT2A
SCHEMBL5103326 0.77 CCR4 (0.48) CCR4CCR5KDM4EMEN1KMT2A
SCHEMBL6181633 0.77 KDM4E (0.53) CCR4KDM4EMEN1KMT2A
SCHEMBL5106036 0.76 CCR4 (0.74) CCR4CCR5MEN1KMT2A
SCHEMBL5617402 0.76 KDM4E (0.54) CCR4KDM4EMEN1KMT2A
SCHEMBL6039005 0.75 CCR4 (0.73) CCR4CCR5MEN1KMT2A

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
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US claimed