SCHEMBL6818586

SCHEMBL6818586

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.46
CXCR1 P25024 4/20 0.46
ALDH1A1 P00352 6/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LIG1 P18858 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.86 CXCR2 (0.44) CXCR2CXCR1ALDH1A1MAPTLIG1
SCHEMBL6818508 0.86 CXCR2 (0.44) CXCR2CXCR1ALDH1A1MAPTLIG1
SCHEMBL7743008 0.83 CXCR2 (0.43) CXCR2CXCR1ALDH1A1MAPTPKM
SCHEMBL7743014 0.83 CXCR2 (0.43) CXCR2CXCR1ALDH1A1MAPTPKM
SCHEMBL6818590 0.78 CXCR2 (0.44) CXCR2CXCR1ALDH1A1LIG1POLB
SCHEMBL6818514 0.78 CXCR2 (0.44) CXCR2CXCR1ALDH1A1LIG1
SCHEMBL5499098 0.76 CXCR2 (0.76) CXCR2CXCR1ALDH1A1MAPTPKM
SCHEMBL5500791 0.76 CXCR2 (0.46) CXCR2CXCR1ALDH1A1MAPTPKM
SCHEMBL27478409 0.72 KDM4E (0.32) ALDH1A1PKMLIG1
SCHEMBL506595 0.71 ALDH1A1 (0.42) ALDH1A1PKMLIG1GAAMEN1

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