SCHEMBL13948037

SCHEMBL13948037

CNS(=O)(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2cc(Cl)co2)C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 9/20 0.39
▸ CXCR2 P25025 9/20 0.39
▸ CCR6 P51684 2/20 0.33

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
SCHEMBL13407046 0.90 CXCR1 (0.41) CXCR1CXCR2CCR6
SCHEMBL13407037 0.82 CXCR1 (0.59) CXCR1CXCR2CCR6
SCHEMBL13405703 0.80 CXCR1 (0.42) CXCR1CXCR2CCR6
SCHEMBL13407054 0.80 CXCR1 (0.38) CXCR1CXCR2CCR6
SCHEMBL13948200 0.79 CXCR1 (0.39) CXCR1CXCR2
SCHEMBL13947490 0.77 CXCR2 (0.47) CXCR1CXCR2
SCHEMBL13407045 0.77 CXCR1 (0.49) CXCR1CXCR2CCR6
SCHEMBL13947975 0.76 CXCR1 (0.33) CXCR1CXCR2
SCHEMBL13947202 0.76 CXCR2 (0.42) CXCR1CXCR2CCR6
SCHEMBL13405721 0.76 CXCR2 (0.42) CXCR1CXCR2

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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