SCHEMBL13947796

SCHEMBL13947796

CN(C)C(=O)c1cccc(NC2=NS(=O)(=O)N=C2N[C@@H](c2ccc(O)c(O)c2)C(F)(F)F)c1O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.53
▸ CXCR1 P25024 19/20 0.53

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
SCHEMBL13406888 0.89 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL13405761 0.87 CXCR2 (0.71) CXCR2CXCR1
SCHEMBL13406913 0.83 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL13947945 0.83 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL13407344 0.82 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL13407057 0.82 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL13407346 0.82 CXCR2 (0.68) CXCR2CXCR1
SCHEMBL13405760 0.82 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL13407349 0.81 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL13407375 0.81 CXCR1 (0.56) 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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