SCHEMBL6167966

SCHEMBL6167966

C[C@@H](O)CNc1cc(NS(=O)(=O)c2cn(C)cn2)nc(SCc2cccc(Cl)c2F)n1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.78
CXCR1 P25024 1/20 0.41
HTR1B P28222 1/20 0.38
CX3CR1 P49238 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL489716 0.88 CXCR2 (1.00) CXCR2HTR1BCX3CR1
SCHEMBL489715 0.88 CXCR2 (1.00) CXCR2HTR1BCX3CR1
SCHEMBL489705 0.79 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL489733 0.77 CXCR2 (0.80) CXCR2HTR1BCX3CR1
SCHEMBL10205335 0.77 CXCR2 (0.80) CXCR2HTR1BCX3CR1
SCHEMBL1487024 0.76 CXCR2 (0.76) CXCR2CXCR1
SCHEMBL1486987 0.76 CXCR2 (0.71) CXCR2CXCR1SCN9A
SCHEMBL1487023 0.75 CXCR2 (0.71) CXCR2CXCR1SCN9A
SCHEMBL1487079 0.74 CXCR2 (0.69) CXCR2CXCR1SCN9A
SCHEMBL1487193 0.73 CXCR2 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed