SCHEMBL18923486

SCHEMBL18923486

O=[N+]([O-])c1cccc2ccn([C@H]3CC(O)[C@@H](CO)O3)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
DNMT1 P26358 1/20 0.42
SLC29A1 Q99808 1/20 0.41
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 2/20 0.40
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
TK2 O00142 1/20 0.40
CYP1A2 P05177 2/20 0.39
HBB P68871 1/20 0.39
TYMS P04818 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 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
SCHEMBL16901866 1.00 ADRB1 (0.42) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL12464623 0.82 SLC29A1 (0.43) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL9127598 0.82 SLC29A1 (0.43) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL18025737 0.82 SLC29A1 (0.43) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL12464370 0.82 SLC29A1 (0.43) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL9127601 0.82 SLC29A1 (0.43) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL2495045 0.76 SLC29A1 (0.45) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL14944711 0.76 SLC29A1 (0.45) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL14946761 0.76 SLC29A1 (0.45) ADRB1DNMT1SLC29A1LMNASMN1; SMN2
SCHEMBL5556184 0.76 SLC29A1 (0.52) ADRB1DNMT1SLC29A1LMNASMN1; SMN2

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
US-20170226562-A1 Method for Attaching a Counter Sequence to a Nucleic Acid Sample AGILENT TECHNOLOGIES, INC. 2017-08-10 US disclosed
US-9670529-B2 Method for attaching a counter sequence to a nucleic acid sample POPULATION GENETICS TECHNOLOGIES LTD. (GB) 2017-06-06 US disclosed