SCHEMBL13948013

SCHEMBL13948013

Cc1coc(C(NC2=NS(=O)(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.60
▸ CXCR1 P25024 16/20 0.60
▸ CCR7 P32248 1/20 0.50

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
SCHEMBL13407022 1.00 CXCR2 (0.60) CXCR2CXCR1CCR7
SCHEMBL13947903 0.90 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13407032 0.90 CXCR2 (0.70) CXCR2CXCR1CCR7
SCHEMBL13407028 0.90 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13407024 0.90 CXCR2 (0.56) CXCR2CXCR1CCR7
SCHEMBL13407035 0.89 CXCR2 (0.55) CXCR2CXCR1CCR7
SCHEMBL13407031 0.89 CXCR2 (0.57) CXCR2CXCR1CCR7
SCHEMBL13405696 0.89 CXCR1 (0.60) CXCR2CXCR1CCR7
SCHEMBL13407009 0.87 CXCR2 (0.59) CXCR2CXCR1CCR7
SCHEMBL13405697 0.87 CXCR1 (0.69) 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 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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