SCHEMBL4651242

SCHEMBL4651242

Nc1nc2c(ncn2[C@@H]2O[C@H](C(OOP(=O)(O)O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.56
TGM2 P21980 1/20 0.53
HINT1 P49773 1/20 0.50
FUT5 Q11128 1/20 0.49
IMPDH2 P12268 5/20 0.49
STING1 Q86WV6 2/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
KRAS P01116 5/20 0.48
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
IMPDH1 P20839 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL19183426 0.90 NT5E (0.57) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL4081026 0.87 NT5E (0.60) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL5861503 0.87 NT5E (0.60) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL407394 0.86 NT5E (0.59) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL1527362 0.86 NT5E (0.59) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL309061 0.83 TGM2 (0.55) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL18955504 0.83 TGM2 (0.54) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL18640378 0.82 NT5E (0.57) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL22498538 0.82 NT5E (0.62) NT5ETGM2HINT1FUT5IMPDH2
SCHEMBL22636005 0.82 NT5E (0.62) NT5ETGM2HINT1FUT5IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844135-B1 ESCHERICHIA STRAIN CAPABLE OF CONVERTING XMP TO GMP AND MAINTAINING THE INACTIVATED STATE OF GENE(S) ASSOCIATED WITH GMP DEGRADATION AND METHODS OF USING THE SAME CJ CHEILJEDANG CORP (KR) 2013-12-25 EP claimed
EP-1753774-B1 2\"-NITROBENZYL-MODIFIED RIBONUCLEOTIDES ASM SCIENT INC (US) 2008-09-10 EP claimed
WO-2000025830-A2 BIOMIMETIC ELEMENTS CONTAINING IODINE AND/OR TELLURIUM, THE PRODUCTION THEREOF AND THEIR USE Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 2000-05-11 WO claimed
EP-0090417-B1 PROCESS FOR PRODUCING 3'-DEOXYGUANOSINE Yamasa Shoyu Kabushiki Kaisha (JP) 1989-03-01 EP claimed
WO-2000025830-A2 BIOMIMETIC ELEMENTS CONTAINING IODINE AND/OR TELLURIUM, THE PRODUCTION THEREOF AND THEIR USE Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 2000-05-11 WO disclosed
EP-0721372-B1 NUCLEOSIDE-CONTAINING SORBENT FOR AFFINITY CHROMATOGRAPHY MERCK PATENT GMBH (DE) 1997-09-03 EP disclosed
EP-0721372-A1 NUCLEOTIDE-CONTAINING SORBENT FOR AFFINITY CHROMATOGRAPHY MERCK PATENT GMBH (DE) 1996-07-17 EP disclosed
WO-1995009694-A1 NUCLEOTIDE-CONTAINING SORBENT FOR AFFINITY CHROMATOGRAPHY MERCK PATENT GMBH (DE) 1995-04-13 WO disclosed