SCHEMBL766670

SCHEMBL766670

O=C(O)CCNc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.41
▸ AKR1B1 P15121 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GDA Q9Y2T3 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL1965514 0.83 XDH (0.47) XDHAKR1B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26174316 0.81 XDH (0.53) XDHALDH1A1KDM4EGDA
SCHEMBL21183279 0.81 XDH (0.44) XDHALDH1A1KDM4EGDA
SCHEMBL21258890 0.81 XDH (0.41) XDHALDH1A1SMN1; SMN2KDM4EGDA
SCHEMBL766669 0.80 XDH (0.66) XDHGDA
SCHEMBL2623143 0.79 XDH (0.65) XDHALDH1A1KDM4EKMT2A
SCHEMBL5062459 0.78 XDH (0.46) XDHALDH1A1KDM4EKMT2AGDA
SCHEMBL249648 0.78 XDH (0.66) XDHALDH1A1KDM4EKMT2A
SCHEMBL8535455 0.77 XDH (0.67) XDHALDH1A1KDM4E
SCHEMBL16205209 0.77 XDH (0.50) XDHALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11835499-B2 Methods of quantifying methylglyoxal-induced nucleic acid adducts CITY OF HOPE (US) 2023-12-05 — — US disclosed
US-20220331273-A1 METHODS OF QUANTIFYING N2-(1-CARBOXYETHYL)-2'-DEOXY-GUANOSINE (CEDG) AND SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING CEDG CITY OF HOPE (US) 2022-10-20 — — US disclosed
US-11266618-B2 Methods of quantifying N2-(1-carboxyethyl)-2′-deoxy-guanosine (CEdG) and synthesis of oligonucleotides containing CEdG CITY OF HOPE (US) 2022-03-08 — — US disclosed
US-11179361-B2 Methods of quantifying N2-(1-carboxyethyl)-2′-deoxy-guanosine (CEdG) and synthesis of oligonucleotides containing CEdG CITY OF HOPE (US) 2021-11-23 — — US disclosed
US-20200363381-A1 METHODS OF QUANTIFYING METHYLGLYOXAL-INDUCED NUCLEIC ACID ADDUCTS CITY OF HOPE (US) 2020-11-19 — — US disclosed
WO-2019152728-A1 METHODS OF QUANTIFYING METHYLGLYOXAL-INDUCED NUCLEIC ACID ADDUCTS CITY OF HOPE (US) 2019-08-08 — — WO disclosed
US-20180338939-A1 METHODS OF QUANTIFYING N2-(1-CARBOXYETHYL)-2'-DEOXY-GUANOSINE (CEDG) AND SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING CEDG CITY OF HOPE 2018-11-29 — — US disclosed
US-20180207116-A1 METHODS OF QUANTIFYING N2-(1-CARBOXYETHYL)-2'-DEOXY-GUANOSINE (CEDG) AND SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING CEDG CITY OF HOPE 2018-07-26 — — US disclosed
US-9855233-B2 Methods of quantifying N2-(1-carboxyethyl)-2′-deoxy-guanosine (CEdG) and synthesis of oligonucleotides containing CEdG CITY OF HOPE (US) 2018-01-02 — — US disclosed
US-20150290156-A1 METHODS OF QUANTIFYING N2-(1-CARBOXYETHYL)-2'-DEOXY-GUANOSINE (CEDG) AND SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING CEDG CITY OF HOPE 2015-10-15 — — US disclosed
EP-2721046-A1 METHODS FOR CHEMICAL SYNTHESIS OF BIOLOGICALLY ACTIVE COMPOUNDS USING SUPRAMOLECULAR PROTECTIVE GROUPS AND NOVEL COMPOUNDS OBTAINABLE THEREBY Rijksuniversiteit Groningen (NL) 2014-04-23 — — EP disclosed
WO-2012173477-A1 METHODS FOR CHEMICAL SYNTHESIS OF BIOLOGICALLY ACTIVE COMPOUNDS USING SUPRAMOLECULAR PROTECTIVE GROUPS AND NOVEL COMPOUNDS OBTAINABLE THEREBY RIJKSUNIVERSITEIT GRONINGEN (NL) 2012-12-20 — — WO disclosed
US-20120071559-A1 METHODS OF QUANTIFYING N2-(1-CARBOXYETHYL)-2'-DEOXY-GUANOSINE (CEdG) AND SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING CEdG RAHBAR SAMUEL (US) 2012-03-22 — — US disclosed
US-20100102218-A1 METHODS OF QUANTIFYING N2-(1-CARBOXYETHYL)-2'-DEOXY-GUANOSINE (CEdG) AND SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING CEdG CITY OF HOPE 2010-04-29 — — US disclosed
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