SCHEMBL13947684

SCHEMBL13947684

CC(C)c1coc(CNc2n[s+]([O-])nc2Nc2ccc(Br)c(C(=O)N(C)C)c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.40
▸ CXCR1 P25024 17/20 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
SCHEMBL13948002 0.88 CXCR2 (0.44) CXCR2CXCR1
SCHEMBL13947697 0.84 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL13207368 0.84 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL13405743 0.84 CXCR2 (0.50) CXCR2CXCR1
SCHEMBL13947940 0.82 CXCR2 (0.41) CXCR2CXCR1
SCHEMBL13207252 0.80 CXCR2 (0.49) CXCR2CXCR1
SCHEMBL13947990 0.78 CCR6 (0.43) —
SCHEMBL13207155 0.75 CXCR2 (0.47) CXCR2CXCR1
SCHEMBL13207367 0.75 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL13948244 0.75 CXCR2 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
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