SCHEMBL16631618

SCHEMBL16631618

O=c1cnc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(F)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
TK1 P04183 3/20 0.37
ADRB1 P08588 1/20 0.37
DNMT1 P26358 1/20 0.37
ADA P00813 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TK2 O00142 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL16631724 0.77 LMNA (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631586 0.76 LMNA (0.43) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631306 0.76 PYGL (0.44) LMNASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL16631245 0.74 PYGL (0.38)
SCHEMBL16631833 0.73 PYGL (0.35)
SCHEMBL4307219 0.69 LMNA (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL24420510 0.69 ADRB1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631956 0.69 TK1 (0.37) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL27054425 0.69 ADRB1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL8927834 0.69 LMNA (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed