SCHEMBL7145382

SCHEMBL7145382

NC1=c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2=NCN1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
BLM P54132 2/20 0.48
LMNA P02545 2/20 0.48
GMNN O75496 1/20 0.48
NFKB1 P19838 1/20 0.48
DNMT1 P26358 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
HBB P68871 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
ADORA2A P29274 3/20 0.45

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
SCHEMBL16333894 0.83 TP53 (0.45) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL136036 0.83 TP53 (0.51) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL3208247 0.83 TP53 (0.51) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL6704178 0.83 TP53 (0.51) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL40771 0.82 TP53 (0.50) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL5317002 0.82 TP53 (0.50) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL13268817 0.81 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1SLC29A1
Gamma-Aminobutyric Acid SCHEMBL12610338 0.80 TP53 (0.45) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL4406383 0.78 TP53 (0.47) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL2809573 0.77 TP53 (0.46) TP53KDM4ETDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605713-B1 Contacting D-nucleic acids with a racemic mixture of the target molecule and allow for binding; producing L-nucleic acids; in vitro selection of DNA/RNA with high binding affinity and stability FURSTE JENS PETER (DE) 2003-08-12 US disclosed
EP-0934331-B1 MIRROR-SYMMETRICAL SELECTION AND EVOLUTION OF NUCLEIC ACIDS FUERSTE JENS PETER (DE) 2002-11-27 EP disclosed
EP-0934331-A2 MIRROR-SYMMETRICAL SELECTION AND EVOLUTION OF NUCLEIC ACIDS Fürste, Jens Peter (DE) 1999-08-11 EP disclosed
WO-1998008856-A2 MIRROR-SYMMETRICAL SELECTION AND EVOLUTION OF NUCLEIC ACIDS FUERSTE JENS PETER (DE) 1998-03-05 WO disclosed