SCHEMBL6817602

SCHEMBL6817602

N#C/N=C(/Nc1ccccc1)Nc1ccc(C#N)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.65
CXCR1 P25024 3/20 0.65
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
LMNA P02545 1/20 0.36
ABCC9 O60706 2/20 0.35

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
SCHEMBL6817474 1.00 CXCR2 (0.65) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL6817696 0.84 CXCR2 (0.70) CXCR2CXCR1ALDH1A1KDM4EGAA
SCHEMBL6817693 0.84 CXCR2 (0.70) CXCR2CXCR1ALDH1A1KDM4EGAA
SCHEMBL7063170 0.81 CXCR2 (0.46) CXCR2CXCR1MAPTMEN1KMT2A
SCHEMBL7063167 0.81 CXCR2 (0.46) CXCR2CXCR1MAPTMEN1KMT2A
SCHEMBL8968824 0.80 CXCR2 (0.44) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL8968827 0.80 CXCR2 (0.44) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL7489930 0.79 CXCR2 (1.00) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL6818383 0.78 CXCR2 (0.40) CXCR2CXCR1ALDH1A1MAPTKDM4E
SCHEMBL5595077 0.75 CXCR2 (0.85) CXCR2CXCR1ALDH1A1MAPTKDM4E

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
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed