SCHEMBL7069157

SCHEMBL7069157

N#Cc1ccc(NNc2ccccc2Br)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.70
CXCR1 P25024 7/20 0.70
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
ADRB3 P13945 1/20 0.36
TSPO P30536 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL5499098 0.82 CXCR2 (0.76) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL6824309 0.82 CXCR2 (1.00) CXCR2CXCR1ALDH1A1GAAKMT2A
SCHEMBL3705632 0.82 CXCR2 (1.00) CXCR2CXCR1ALDH1A1GAAKMT2A
SCHEMBL6129920 0.81 CXCR2 (0.66) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL6104757 0.80 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL6817696 0.79 CXCR2 (0.70) CXCR2CXCR1ALDH1A1KDM4EGAA
SCHEMBL6817693 0.79 CXCR2 (0.70) CXCR2CXCR1ALDH1A1KDM4EGAA
SCHEMBL7067490 0.78 CXCR2 (0.48) CXCR2CXCR1ALDH1A1KDM4EGAA
SCHEMBL6929820 0.77 CXCR2 (0.60) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL7069156 0.77 CXCR2 (0.56) CXCR2CXCR1ALDH1A1KDM4EGAA

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-1265905-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
EP-1265905-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-18 EP disclosed
WO-2001064691-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed