SCHEMBL13947997

SCHEMBL13947997

C=C(C)C(NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.48
▸ CXCR1 P25024 14/20 0.48

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
SCHEMBL13439877 0.90 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL13407234 0.85 CCR6 (0.54) CXCR2CXCR1
SCHEMBL13439798 0.81 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL13439875 0.81 CXCR2 (0.54) CXCR2CXCR1
SCHEMBL13440163 0.80 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL13407252 0.79 CCR6 (0.51) CXCR2CXCR1
SCHEMBL13406874 0.79 CXCR2 (0.61) CXCR2CXCR1
SCHEMBL13407232 0.78 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL13440165 0.78 CXCR1 (0.55) CXCR2CXCR1
SCHEMBL13407355 0.77 CCR6 (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
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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