SCHEMBL767074

SCHEMBL767074

Fc1ncc2nc[nH]c2n1.NP(O)O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.31
QPCT Q16769 1/20 0.31
PARP1 P09874 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1590661 0.89 KDM4E (0.35) CDK1PARP1KDM4EALDH1A1GLA
SCHEMBL29830956 0.89 KDM4E (0.35) CDK1PARP1KDM4EALDH1A1GLA
2-Aminopurine SCHEMBL1528157 0.81 ALDH1A1 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL767075 0.72 ALDH1A1 (0.53) CDK1KDM4EALDH1A1
SCHEMBL30152039 0.71 KDM4E (0.33) PARP1KDM4EALDH1A1GLAGAA
SCHEMBL4323514 0.70 KDM4E (0.35) CDK1KDM4EALDH1A1GLAGAA
2-Aminopurine SCHEMBL29901502 0.70 ALDH1A1 (0.48) PARP1KDM4EALDH1A1GLAGAA
SCHEMBL840561 0.70 KDM4E (0.35) PARP1KDM4EALDH1A1GLAGAA
SCHEMBL357002 0.70 KDM4E (0.48) PARP1KDM4EALDH1A1GLAGAA
2-Aminopurine SCHEMBL5631 0.70 ALDH1A1 (0.48) PARP1KDM4EALDH1A1GLAGAA

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 12 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
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