SCHEMBL767075

SCHEMBL767075

Fc1ncc2[nH]cnc2n1.NP(O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RXFP1 Q9HBX9 1/20 0.46
CDK2 P24941 2/20 0.43
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
PAK1 Q13153 1/20 0.38
POLA1 P09884 1/20 0.35
SCD O00767 2/20 0.33
CYP1A2 P05177 1/20 0.30
METAP2 P50579 1/20 0.30
PDPK1 O15530 1/20 0.30
GDA Q9Y2T3 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
SCHEMBL408916 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2CCNT1
SCHEMBL29464976 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2CCNT1
Hydrochloric Acid SCHEMBL30389813 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ERXFP1CDK2CCNT1
2-Aminopurine SCHEMBL1528159 0.81 ALDH1A1 (0.82) ALDH1A1KDM4ERXFP1CDK2CCNT1
SCHEMBL767074 0.72 CDK1 (0.31) ALDH1A1KDM4ECDK1
Purine SCHEMBL28316629 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ERXFP1CDK2CCNT1
SCHEMBL357005 0.70 KDM4E (1.00) ALDH1A1KDM4ERXFP1CDK2CCNT1
2-Aminopurine SCHEMBL5634 0.70 ALDH1A1 (1.00) ALDH1A1KDM4ERXFP1CDK2CCNT1
SCHEMBL276945 0.70 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2CCNT1
SCHEMBL29452971 0.69 ALDH1A1 (0.63) ALDH1A1KDM4ERXFP1CDK2CCNT1

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