SCHEMBL16631950

SCHEMBL16631950

Cc1nc([C@H]2C[C@@H](O)[C@@H](CO)O2)c[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.39
TK2 O00142 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADRB1 P08588 1/20 0.37
DNMT1 P26358 1/20 0.37
ALOX12 P18054 1/20 0.35
ADRA1A P35348 1/20 0.35
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
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33

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
SCHEMBL18079906 0.76 SLC5A2 (0.43) LMNASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL17384668 0.75 TK1 (0.38) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL9633782 0.74 LMNA (0.37) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL9634749 0.74 LMNA (0.37) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL8663124 0.74 ADRB1 (0.38) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL9751247 0.74 ADRB1 (0.38) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL16631247 0.73 CDA (0.37) SMN1; SMN2
SCHEMBL9711026 0.72 TK1 (0.38) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL16631835 0.72 LGALS3 (0.36) LMNATSHR
SCHEMBL27482117 0.70 ADA (0.35) TK1TK2LMNASMN1; SMN2ADRB1

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