SCHEMBL6138817

SCHEMBL6138817

O=c1c(Nc2ccccc2Br)c(Nc2ccc(Cl)c(S)c2O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.61
CXCR1 P25024 5/20 0.46
CCR6 P51684 1/20 0.43

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
SCHEMBL6138738 0.87 CXCR2 (0.54) CXCR2CCR6
SCHEMBL6138890 0.83 CXCR2 (0.66) CXCR2
SCHEMBL5711800 0.81 CXCR2 (0.66) CXCR2CXCR1CCR6
SCHEMBL3880212 0.81 CXCR2 (0.73) CXCR2CXCR1CCR6
SCHEMBL6138814 0.81 CCR6 (0.48) CXCR2CCR6
SCHEMBL6138369 0.80 CXCR2 (0.47) CXCR2CCR6
SCHEMBL6138330 0.79 ACLY (0.46) CXCR2CCR6
SCHEMBL6138767 0.76 CXCR2 (0.50) CXCR2CCR6
SCHEMBL6243497 0.75 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL6104523 0.75 CXCR2 (1.00) CXCR2CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351933-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-07 EP claimed
EP-1351933-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP claimed
WO-2002057230-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-25 WO claimed
EP-1351933-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-09-07 EP disclosed
EP-1351933-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP disclosed
WO-2002057230-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-25 WO disclosed