SCHEMBL13947484

SCHEMBL13947484

Cc1ccc([C@H](NC2=N[SH](C)(=O)N=C2Nc2ccc(Br)c(C(=O)N(C)C)c2O)C(C)(C)C)o1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.55
▸ CXCR1 P25024 16/20 0.55
▸ CCR7 P32248 3/20 0.50
▸ CCR6 P51684 1/20 0.42

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
SCHEMBL13405676 0.86 CXCR2 (0.55) CXCR2CXCR1CCR7CCR6
SCHEMBL13439958 0.86 CXCR2 (0.55) CXCR2CXCR1CCR7CCR6
SCHEMBL12262900 0.84 CXCR2 (0.70) CXCR2CXCR1CCR7CCR6
SCHEMBL13344815 0.82 CXCR2 (0.63) CXCR2CXCR1CCR7CCR6
SCHEMBL13208199 0.82 CXCR2 (0.79) CXCR2CXCR1CCR7
SCHEMBL13207093 0.81 CXCR2 (0.61) CXCR2CXCR1CCR7CCR6
SCHEMBL13948441 0.80 CXCR2 (0.40) CXCR2CXCR1CCR7
SCHEMBL12779729 0.79 CXCR2 (0.60) CXCR2CXCR1CCR7CCR6
SCHEMBL14619813 0.79 CXCR2 (0.57) CXCR2CXCR1CCR7CCR6
SCHEMBL13345266 0.78 CXCR2 (0.56) CXCR2CXCR1CCR7CCR6

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
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
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