SCHEMBL7212769

SCHEMBL7212769

N#Cc1ccc(NC(=NS(=O)(=O)CCl)Nc2ccccc2Br)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.63
CXCR1 P25024 10/20 0.63
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.35
ADRB3 P13945 1/20 0.34
TSPO P30536 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL6817696 0.79 CXCR2 (0.70) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL6817693 0.79 CXCR2 (0.70) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL7212775 0.78 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL7212592 0.78 CXCR2 (0.65) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL3705632 0.78 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL6824309 0.78 CXCR2 (1.00) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL8031955 0.77 CXCR2 (0.63) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL5499098 0.75 CXCR2 (0.76) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL7212622 0.74 CXCR2 (0.60) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL6129920 0.74 CXCR2 (0.66) CXCR2CXCR1MEN1KMT2AALDH1A1

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