SCHEMBL7211780

SCHEMBL7211780

CC(C)(C)OC(=O)NCCc1ccc(NC(=O)c2c(Cl)ccc(NC(=O)Nc3ccccc3Br)c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.50
CXCR1 P25024 7/20 0.50
NAMPT P43490 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CNR1 P21554 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
IDH1 O75874 1/20 0.36

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
SCHEMBL7212958 0.89 NAMPT (0.45) CXCR2NAMPTCNR1MEN1LMNA
SCHEMBL7212993 0.85 CXCR2 (0.54) CXCR2CXCR1CA1CA2
SCHEMBL7211916 0.82 CXCR2 (0.62) CXCR2CXCR1ABCG2MEN1NPC1
SCHEMBL7217938 0.80 NAMPT (0.49) NAMPTCA1CA2CNR1LMNA
SCHEMBL7212951 0.77 NAMPT (0.46) NAMPTCA1CA2CNR1MEN1
SCHEMBL4587033 0.76 CXCR2 (0.58) CXCR2CXCR1IDH1
SCHEMBL4586237 0.74 CXCR2 (0.56) CXCR2CXCR1IDH1
SCHEMBL7211897 0.73 CXCR2 (0.50) CXCR2MEN1KMT2A
SCHEMBL7503016 0.73 CXCR2 (0.56) CXCR2CXCR1IDH1
SCHEMBL7211781 0.72 NAMPT (0.47) NAMPTCA1CA2CNR1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP claimed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP claimed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP disclosed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed