SCHEMBL8625601

SCHEMBL8625601

NC(=O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX12 P18054 1/20 0.46
ADRA1A P35348 1/20 0.46
TK1 P04183 3/20 0.46
ADRB1 P08588 1/20 0.46
DNMT1 P26358 1/20 0.46
TK2 O00142 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
PNP P00491 1/20 0.39

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
SCHEMBL7929690 0.90 LMNA (0.41) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL7928080 0.80 LMNA (0.37) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2193016 0.80 ADRB1 (0.50) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL149648 0.80 ADRB1 (0.50) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL5983012 0.77 TK1 (0.69) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL5983020 0.77 TK1 (0.69) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL15285228 0.77 TK1 (0.69) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL5983240 0.76 DNMT1 (0.61) LMNASMN1; SMN2TK1ADRB1DNMT1
SCHEMBL27093305 0.76 DNMT1 (0.61) LMNASMN1; SMN2TK1ADRB1DNMT1
SCHEMBL5983245 0.76 DNMT1 (0.61) LMNASMN1; SMN2TK1ADRB1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885235-A1 NUCLEOSIDE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 1998-12-23 EP disclosed
WO-1997028176-A1 NUCLEOSIDE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-08-07 WO disclosed