SCHEMBL13407514

SCHEMBL13407514

CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCN(c3cccc[n+]3[O-])CC2)c1O)c1ccc(C)o1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 18/20 0.44
▸ CXCR1 P25024 11/20 0.44
▸ CCR7 P32248 1/20 0.41
▸ CCR6 P51684 1/20 0.41

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
SCHEMBL13407513 0.89 CXCR2 (0.52) CXCR2CXCR1CCR7
SCHEMBL13407253 0.85 CXCR2 (0.47) CXCR2CXCR1CCR7CCR6
SCHEMBL13407256 0.84 CXCR2 (0.56) CXCR2CXCR1CCR7CCR6
SCHEMBL13405732 0.78 CXCR2 (0.48) CXCR2CXCR1CCR7CCR6
SCHEMBL13405684 0.77 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL13405728 0.76 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13407418 0.76 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13405672 0.76 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6
SCHEMBL13407246 0.76 CXCR2 (0.61) CXCR2CXCR1CCR7
SCHEMBL13439977 0.76 CXCR2 (0.61) CXCR2CXCR1CCR7

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
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
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