SCHEMBL16631724

SCHEMBL16631724

O=c1ncc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(F)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37
TK1 P04183 3/20 0.37
ADRB1 P08588 1/20 0.37
DNMT1 P26358 1/20 0.37
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
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32

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
SCHEMBL16631956 0.85 TK1 (0.37) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631586 0.79 LMNA (0.43) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL24420510 0.77 ADRB1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631618 0.77 LMNA (0.44) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL27054425 0.77 ADRB1 (0.42) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631570 0.76 PYGL (0.44) LMNASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL16631503 0.74 PYGL (0.38) LMNASMN1; SMN2BLMPMP22
SCHEMBL8356828 0.74 ADRB1 (0.38) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL27056556 0.72 KDM4E (0.39) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL16631377 0.71 PNP (0.36) LMNATSHR

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