SCHEMBL1739489

SCHEMBL1739489

CN(CC(=O)OP(=O)(O)OP(=O)(O)O)C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MVD P53602 2/20 0.42
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA4 P22748 1/20 0.31
BTN3A1 O00481 2/20 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
SCHEMBL15514032 0.97 MVD (0.40) MVDNOS3NOS1NOS2CA1
SCHEMBL28000874 0.97 MVD (0.40) MVDNOS3NOS1NOS2CA1
Water SCHEMBL28582154 0.97 MVD (0.40) MVDNOS3NOS1NOS2CA1
SCHEMBL1065720 0.95 MVD (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL29050786 0.95 MVD (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL4110528 0.90 NOS3 (0.38) MVDNOS3NOS1NOS2CA1
Water SCHEMBL28318017 0.88 NOS3 (0.37) MVDNOS3NOS1NOS2CA1
SCHEMBL29007316 0.88 NOS3 (0.37) MVDNOS3NOS1NOS2CA1
SCHEMBL4966699 0.87 MVD (0.36) MVDNOS3NOS1NOS2CA1
SCHEMBL27190 0.86 CA4 (0.40) MVDNOS3NOS1NOS2CA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114150040-A Crystallization-resistant creatine kinase detection kit and preparation method thereof 中生北控生物科技股份有限公司 2022-03-08 CN disclosed
US-9476870-B2 Methods and agents for screening for compounds capable of modulating gene expression PTC THERAPEUTICS, INC. (US) 2016-10-25 US disclosed
EP-2351859-B1 Methods and agents for screening for compounds capable of modulating gene expression PTC THERAPEUTICS INC (US) 2016-08-10 EP disclosed
US-20150253304-A1 Methods And Agents For Screening For Compounds Capable Of Modulating Gene Expression PTC THERAPEUTICS, INC. (US) 2015-09-10 US disclosed
US-9068234-B2 Methods and agents for screening for compounds capable of modulating gene expression PTC THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
EP-2806036-A1 Methods and agents for screening for compounds capable of modulating VEGF expression PTC Therapeutics, Inc. (US) 2014-11-26 EP disclosed
EP-2400038-B1 Methods and nucleic acid constructs for screening for compounds capable of modulating VEGF expression PTC THERAPEUTICS INC (US) 2014-06-25 EP disclosed
US-8426194-B2 Expression vector coding a negative regulator and/or postranslational regulatory elements for use in identifying modulators of endothelial growth factors PTC THERAPEUTICS, INC. (US) 2013-04-23 US disclosed
EP-2400038-A1 Methods and nucleic acid constructs for screening for compounds capable of modulating VEGF expression PTC Therapeutics, Inc. (US) 2011-12-28 EP disclosed
EP-2351859-A1 Methods and agents for screening for compounds capable of modulating gene expression PTC Therapeutics, Inc. (US) 2011-08-03 EP disclosed
EP-1786933-A4 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING GENE EXPRESSION PTC THERAPEUTICS INC (US) 2008-07-16 EP disclosed
EP-1786933-A1 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING GENE EXPRESSION PTC Therapeutics, Inc. (US) 2007-05-23 EP disclosed
US-20070072186-A1 Methods and agents for screening for compounds capable of modulating her2 expression PTC THERAPEUTICS, INC. 2007-03-29 US disclosed
EP-1761638-A2 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING VEGF EXPRESSION PTC Therapeutics, Inc. (US) 2007-03-14 EP disclosed
WO-2006022712-A1 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING GENE EXPRESSION PTC THERAPEUTICS, INC. (US) 2006-03-02 WO disclosed
WO-2005118857-A2 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING VEGF EXPRESSION PTC THERAPEUTICS, INC. (US) 2005-12-15 WO disclosed
WO-2005049868-A9 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING HER2 EXPRESSION PCT THERAPEUTICS INC (US) 2005-07-21 WO disclosed
WO-2005049868-A1 METHODS AND AGENTS FOR SCREENING FOR COMPOUNDS CAPABLE OF MODULATING HER2 EXPRESSION PCT THERAPEUTICS, INC. (US) 2005-06-02 WO disclosed
US-20050048549-A1 Expression vector comprising regulatory nucleotide sequences for use in identifying modulator of gene expression; identifying modulators which control gene expression via acting untranslated regions of messe ger RNA PTC THERAPEUTICS, INC. 2005-03-03 US disclosed
US-20040214223-A1 Methods and agents for screening for compounds capable of modulating VEGF expression PTC THERAPEUTICS, INC. 2004-10-28 US disclosed