SCHEMBL4733243

SCHEMBL4733243

C[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.76
GSK3A P49840 2/20 0.69
RPS6KA3 P51812 2/20 0.69
MAPK14 Q16539 2/20 0.69
PNP P00491 1/20 0.66
NT5E P21589 1/20 0.65
TGM2 P21980 1/20 0.61
KRAS P01116 6/20 0.59
FUT5 Q11128 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56

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
SCHEMBL1611244 0.94 HINT1 (0.77) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL8450059 0.93 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL217117 0.90 HINT1 (0.80) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL1138806 0.88 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL10681529 0.88 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL6899834 0.87 HINT1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9295418 0.87 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9295421 0.87 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.86 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.86 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008048345-A9 DETECTION SYSTEMS FOR MASS LABELS PERKINELMER LAS INC (US) 2008-06-12 WO disclosed
WO-2008048345-A2 DETECTION SYSTEMS FOR MASS LABELS PERKINELMER LAS, INC. (US) 2008-04-24 WO disclosed
US-20080026480-A1 Detection systems for mass labels PERKINELMER LAS, INC. 2008-01-31 US disclosed
EP-1851551-A2 ULTRA-SENSITIVE DETECTION SYSTEMS USING MULTIDIMENSION SIGNALS Perkinelmer Las, Inc. (US) 2007-11-07 EP disclosed
US-20070207555-A1 Ultra-sensitive detection systems using multidimension signals AGILIX CORPORATION 2007-09-06 US disclosed
WO-2006084130-A9 ULTRA-SENSITIVE DETECTION SYSTEMS USING MULTIDIMENSION SIGNALS PERKINELMER LAS INC (US) 2006-10-19 WO disclosed
WO-2006084130-A2 ULTRA-SENSITIVE DETECTION SYSTEMS USING MULTIDIMENSION SIGNALS PERKINELMER LAS, INC. (US) 2006-08-10 WO disclosed
US-20050069916-A1 Ultra-sensitive detection systems CHAIT BRIAN T (US) 2005-03-31 US disclosed
EP-1451588-A4 SENSITIVE CODED DETECTION SYSTEMS AGILIX CORP (US) 2005-03-09 EP disclosed
US-6824981-B2 REPORTER SIGNALS FOR USE AS DIAGNOSTIC TOOLS IN GENETIC ENGINEERING AGILIX CORPORATION 2004-11-30 US disclosed
EP-1451588-A2 SENSITIVE CODED DETECTION SYSTEMS Agilix Corporation (US) 2004-09-01 EP disclosed
EP-1350106-A2 ULTRA-SENSITIVE DETECTION SYSTEMS Agilix Corporation (US) 2003-10-08 EP disclosed
WO-2003056298-A2 SENSITIVE CODED DETECTION SYSTEMS AGILIX CORPORATION (US) 2003-07-10 WO disclosed
US-20030124595-A1 Sensitive coded detection systems PERKINELMER LAS, INC. 2003-07-03 US disclosed
US-20030045694-A1 Ultra-sensitive detection systems PERKINELMER LAS, INC. 2003-03-06 US disclosed
WO-2002014867-A2 ULTRA-SENSITIVE DETECTION SYSTEMS AGILIX CORPORATION (US) 2002-02-21 WO disclosed