SCHEMBL7639766

SCHEMBL7639766

OC[C@H]1OC(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.70
SLC29A1 Q99808 2/20 0.47
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3549857 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7632989 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7633291 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7632995 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL5110006 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL5110015 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL3549859 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL5110010 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7801038 0.96 HDAC6 (0.71) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7801036 0.96 HDAC6 (0.71) HDAC6SLC29A1ADORA2AADORA2BADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455506-B1 Lyxofuranosyl benzimidazoles as antiviral agents SMITHKLINE BEECHAM CORPORATION 2002-09-24 US claimed
EP-1000080-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 2000-05-17 EP claimed
WO-1999006424-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-02-11 WO claimed
US-6455506-B1 Lyxofuranosyl benzimidazoles as antiviral agents SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
EP-1000080-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 2000-05-17 EP disclosed
WO-1999006424-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-02-11 WO disclosed