SCHEMBL4686262

SCHEMBL4686262

O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Cl)N2.O=[N+]([O-])c1cc(O)c2c(c1)SN=C(Nc1ccccc1Br)N2

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.75
CXCR1 P25024 6/20 0.75
CYP2C9 P11712 1/20 0.75
SERPINE1 P05121 1/20 0.58
ADRA1D P25100 1/20 0.58
ADORA2A P29274 1/20 0.58
HTR7 P34969 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
MAPK14 Q16539 1/20 0.58

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
SCHEMBL29843937 0.87 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954935 0.87 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954897 0.87 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4648882 0.86 CXCR2 (0.64) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4687748 0.81 CXCR2 (0.60) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954904 0.74 CXCR2 (0.75) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL5954354 0.74 CXCR2 (1.00) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4698274 0.73 CXCR2 (0.74) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL4808030 0.73 CXCR2 (0.49) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL18953471 0.73 CXCR2 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631559-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP claimed
EP-1631559-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-08 EP claimed
WO-2005000231-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed