SCHEMBL9127601

SCHEMBL9127601

O=[N+]([O-])c1cccc2c1ccn2[C@@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.43
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
TK1 P04183 3/20 0.40
ADRB1 P08588 1/20 0.40
DNMT1 P26358 1/20 0.40
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
TK2 O00142 1/20 0.38
CYP1A2 P05177 2/20 0.37
HBB P68871 1/20 0.37
TYMS P04818 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL12464370 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL12464623 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL9127598 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL18025737 1.00 SLC29A1 (0.43) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL18923486 0.82 ADRB1 (0.42) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL16901866 0.82 ADRB1 (0.42) SLC29A1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5556184 0.81 SLC29A1 (0.52) SLC29A1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9127997 0.81 SLC29A1 (0.48) SLC29A1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9128002 0.81 SLC29A1 (0.48) SLC29A1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL9127726 0.80 ADRB1 (0.46) LMNASMN1; SMN2ALOX12ADRA1ATK1

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-0484333-B1 NUCLEOSIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1995-11-15 EP disclosed
US-5446139-A Purine analog nucleoside and nucleotide compounds BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed