SCHEMBL195449

SCHEMBL195449

CC(C(=O)O)n1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.57
ADORA1 P30542 1/20 0.57
ADORA2A P29274 5/20 0.57
ADORA2B P29275 4/20 0.57
CYP2C19 P33261 1/20 0.56
SLC29A1 Q99808 1/20 0.55
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL1138803 0.91 ADORA2A (0.60) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL7752324 0.90 ADORA2A (0.59) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL6829360 0.88 ADORA2A (0.57) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL7867680 0.88 ADORA2A (0.60) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL15413277 0.87 ADORA2A (0.55) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL5501190 0.85 ADORA2A (0.56) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL3970946 0.84 LMNA (0.62) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL1611240 0.84 ADORA2A (0.57) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL4813930 0.84 ADORA2A (0.57) ADORA3ADORA1ADORA2AADORA2BCYP2C19
SCHEMBL766499 0.84 PNP (0.56) LMNAHIF1A

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-20200363381-A1 METHODS OF QUANTIFYING METHYLGLYOXAL-INDUCED NUCLEIC ACID ADDUCTS CITY OF HOPE (US) 2020-11-19 US claimed
WO-2019152728-A1 METHODS OF QUANTIFYING METHYLGLYOXAL-INDUCED NUCLEIC ACID ADDUCTS CITY OF HOPE (US) 2019-08-08 WO claimed
US-11835499-B2 Methods of quantifying methylglyoxal-induced nucleic acid adducts CITY OF HOPE (US) 2023-12-05 US disclosed
US-11835499-B2 Methods of quantifying methylglyoxal-induced nucleic acid adducts CITY OF HOPE (US) 2023-12-05 US disclosed
US-20200363381-A1 METHODS OF QUANTIFYING METHYLGLYOXAL-INDUCED NUCLEIC ACID ADDUCTS CITY OF HOPE (US) 2020-11-19 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
WO-2019152728-A1 METHODS OF QUANTIFYING METHYLGLYOXAL-INDUCED NUCLEIC ACID ADDUCTS CITY OF HOPE (US) 2019-08-08 WO disclosed
EP-2402047-B1 Device for detoxification of blood RENAPTA B V (NL) 2015-07-29 EP disclosed
US-8834400-B2 Artificial kidney RELITECH B.V. (NL) 2014-09-16 US disclosed
US-20120283628-A1 Artificial Kidney RELITECH B.V. (NL) 2012-11-08 US disclosed
US-8277407-B2 Artificial kidney RELITECH B.V. (NL) 2012-10-02 US disclosed
EP-2402047-A1 Device for detoxification and use of such a device RenApta B.V. (NL) 2012-01-04 EP disclosed
US-20100185134-A1 Artifical Kidney RELITECH B.V. (NL) 2010-07-22 US disclosed