SCHEMBL6138890

SCHEMBL6138890

O=c1c(Nc2ccccc2)c(Nc2ccc(Cl)c(S)c2O)c1=O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.66

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) CXCR2
SCHEMBL6138767 0.86 CXCR2 (0.50) CXCR2
SCHEMBL6138369 0.85 CXCR2 (0.47) CXCR2
SCHEMBL6138817 0.83 CXCR2 (0.61) CXCR2
SCHEMBL6138330 0.81 ACLY (0.46) CXCR2
SCHEMBL6138814 0.80 CCR6 (0.48) CXCR2
SCHEMBL3880456 0.80 CXCR2 (1.00) CXCR2
SCHEMBL5914717 0.79 CXCR2 (0.64) CXCR2
SCHEMBL3884037 0.73 CXCR2 (0.66) CXCR2
SCHEMBL22198065 0.72 CXCR2 (0.67) CXCR2

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 3 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 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