SCHEMBL6818508

SCHEMBL6818508

C=CCOc1cc(C#N)ccc1NC(=NC#N)Nc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.44
CXCR1 P25024 4/20 0.44
ALDH1A1 P00352 4/20 0.33
LIG1 P18858 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB3 P13945 1/20 0.31
TSPO P30536 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
SCHEMBL6818505 1.00 CXCR2 (0.44) CXCR2CXCR1ALDH1A1LIG1POLB
SCHEMBL6818586 0.86 CXCR2 (0.46) CXCR2CXCR1ALDH1A1LIG1POLB
SCHEMBL6818514 0.81 CXCR2 (0.44) CXCR2CXCR1ALDH1A1LIG1HPGD
SCHEMBL7743014 0.81 CXCR2 (0.43) CXCR2CXCR1ALDH1A1LIG1POLB
SCHEMBL7743008 0.81 CXCR2 (0.43) CXCR2CXCR1ALDH1A1LIG1POLB
SCHEMBL6817693 0.78 CXCR2 (0.70) CXCR2CXCR1ALDH1A1KDM4EMEN1
SCHEMBL6817696 0.78 CXCR2 (0.70) CXCR2CXCR1ALDH1A1KDM4EMEN1
SCHEMBL6818590 0.75 CXCR2 (0.44) CXCR2CXCR1ALDH1A1LIG1POLB
SCHEMBL27479938 0.72 HPGD (0.31) ALDH1A1LIG1HPGDTSHRMAPK1
SCHEMBL6818383 0.72 CXCR2 (0.40) CXCR2CXCR1ALDH1A1KDM4EMAPT

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