SCHEMBL6818541

SCHEMBL6818541

C=CCOc1cc(C#N)ccc1N=C=Nc1ccccc1Br

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LIG1 P18858 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
PTPRC P08575 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8516951 0.82 SQOR (0.36) HPGDALDH1A1TSHRMAPK1HSD17B10
SCHEMBL5505640 0.74 AR (0.32)
SCHEMBL6818514 0.74 CXCR2 (0.44) HPGDALDH1A1LIG1
SCHEMBL506595 0.74 ALDH1A1 (0.42) HPGDALDH1A1TSHRMAPK1LIG1
SCHEMBL6818505 0.70 CXCR2 (0.44) HPGDALDH1A1TSHRMAPK1HSD17B10
SCHEMBL6818508 0.70 CXCR2 (0.44) HPGDALDH1A1TSHRMAPK1HSD17B10
SCHEMBL6818586 0.70 CXCR2 (0.46) ALDH1A1LIG1MEN1KMT2A
SCHEMBL21728097 0.70 AR (0.44) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL6550839 0.69 TRPV4 (0.38) HPGDALDH1A1TSHRMAPK1HSD17B10
SCHEMBL27479938 0.68 HPGD (0.31) HPGDALDH1A1TSHRMAPK1HSD17B10

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 8 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-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
EP-0934066-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-17 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
US-6177448-B1 THERAPY FOR CHEMOKINE SENSITIVIE DISEASE SMITHKLINE BEECHAM CORPORATION 2001-01-23 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0934066-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998005329-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed