SCHEMBL13440163

SCHEMBL13440163

C=C(C)[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.56
▸ CXCR1 P25024 19/20 0.56

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
SCHEMBL13406893 0.89 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL13440165 0.88 CXCR1 (0.55) CXCR2CXCR1
SCHEMBL13407032 0.87 CXCR2 (0.70) CXCR2CXCR1
SCHEMBL13405673 0.86 CXCR1 (0.70) CXCR2CXCR1
SCHEMBL13405670 0.86 CXCR1 (0.70) CXCR2CXCR1
SCHEMBL13406890 0.84 CXCR2 (0.71) CXCR2CXCR1
SCHEMBL13439877 0.84 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL13227096 0.83 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL13227286 0.82 CXCR1 (0.60) CXCR2CXCR1
SCHEMBL13947554 0.81 CXCR2 (0.53) 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
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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