SCHEMBL7212592

SCHEMBL7212592

N#Cc1ccc(NC(=NCCO)Nc2ccccc2Br)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.65
CXCR1 P25024 8/20 0.65
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ADRB3 P13945 1/20 0.34
TSPO P30536 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL8031955 0.85 CXCR2 (0.63) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL6817693 0.83 CXCR2 (0.70) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL6817696 0.83 CXCR2 (0.70) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL7212622 0.82 CXCR2 (0.60) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL6824309 0.79 CXCR2 (1.00) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL3705632 0.79 CXCR2 (1.00) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL5499098 0.79 CXCR2 (0.76) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL7212769 0.78 CXCR2 (0.63) CXCR2CXCR1KMT2AMEN1TDP1
SCHEMBL7212596 0.76 CXCR2 (0.52) CXCR2CXCR1
SCHEMBL7069157 0.76 CXCR2 (0.70) CXCR2CXCR1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500443-A 2003-01-07 JP claimed
EP-1180025-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-08-28 EP claimed
EP-1180025-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-02-20 EP claimed
WO-2000072840-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO claimed
EP-1180025-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-08-28 EP disclosed
EP-1180025-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-02-20 EP disclosed
WO-2000072840-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO disclosed