SCHEMBL6896687

SCHEMBL6896687

N=C(N)c1ncn([C@@H]2C[C@H](O)[C@@H](CO)O2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.58
DNMT1 P26358 1/20 0.58
TP53 P04637 2/20 0.56
PNP P00491 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3A Q14432 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PIM1 P11309 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
HIF1A Q16665 1/20 0.48
ADA P00813 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 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
SCHEMBL7945679 0.88 TP53 (0.62) ADRB1DNMT1TP53PNPLMNA
SCHEMBL9006269 0.85 ADRB1 (0.58) ADRB1DNMT1TP53PNPLMNA
SCHEMBL19101645 0.82 ADRB1 (0.52) ADRB1DNMT1TP53PNPLMNA
SCHEMBL23865500 0.80 ADRB1 (0.60) ADRB1DNMT1TP53PNPLMNA
SCHEMBL22606711 0.78 ADRB1 (0.61) ADRB1DNMT1TP53PNPLMNA
SCHEMBL13530212 0.78 KDM4E (0.62) ADRB1DNMT1TP53PNPLMNA
SCHEMBL11807285 0.77 KDM4E (0.77) DNMT1TP53PNPLMNAHTT
Deoxyadenosine SCHEMBL21637036 0.74 HIF1A (0.71) TP53PNPLMNAHTTPDE4D
Deoxyadenosine SCHEMBL5982298 0.74 HIF1A (0.71) TP53PNPLMNAHTTPDE4D
Deoxyadenosine SCHEMBL23982174 0.74 HIF1A (0.71) TP53PNPLMNAHTTPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed