SCHEMBL5743973

SCHEMBL5743973

COc1nc(SCC(O)c2ncco2)cnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 18/20 0.54
CCR2 P41597 1/20 0.40
SCN9A Q15858 1/20 0.36

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
SCHEMBL4700403 0.85 CCR4 (0.56) CCR4
SCHEMBL4699747 0.75 CCR4 (0.57) CCR4
SCHEMBL1969809 0.73 CCR4 (0.78) CCR4
SCHEMBL1732656 0.72 CCR4 (0.77) CCR4CCR2
SCHEMBL1731359 0.71 CCR4 (1.00) CCR4
SCHEMBL4700081 0.70 CCR4 (0.57) CCR4
SCHEMBL4701024 0.70 CCR4 (0.59) CCR4
SCHEMBL4701065 0.69 CCR4 (0.61) CCR4
SCHEMBL4700036 0.69 CCR4 (0.58) CCR4
SCHEMBL4704359 0.68 CCR4 (0.56) CCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633729-A1 SULPHONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4) AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004108692-A1 SULPHONAMIDE COMPOUNDS THAT MODULATE CHEMOKINE RECEPTOR ACTIVITY (CCR4) ASTRAZENECA AB (SE) 2004-12-16 WO disclosed