SCHEMBL16631259

SCHEMBL16631259

C[C@H]1O[C@@H](n2cc(-n3ccnn3)c(N)nc2=O)[C@@H](O)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 10/20 0.41
LMNA P02545 4/20 0.41
ADORA3 P0DMS8 1/20 0.40
PMP22 Q01453 2/20 0.39
HBB P68871 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTOR P42345 2/20 0.37
THRB P10828 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
DNMT1 P26358 1/20 0.35
THPO P40225 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16631406 0.86 LMNA (0.56) LMNAADORA3PMP22HBBMAPT
SCHEMBL23098378 0.78 ADK (0.56) ADKLMNAADORA3PMP22HBB
SCHEMBL28350236 0.77 ADK (0.41) ADKLMNAADORA3PMP22HBB
SCHEMBL19657131 0.77 LMNA (0.56) ADKLMNAADORA3PMP22HBB
SCHEMBL10013535 0.77 LMNA (0.56) ADKLMNAADORA3PMP22HBB
SCHEMBL3825501 0.77 ADK (0.57) ADKLMNAADORA3PMP22HBB
SCHEMBL15119375 0.77 LMNA (0.56) ADKLMNAADORA3PMP22HBB
SCHEMBL2467656 0.77 LMNA (0.56) ADKLMNAADORA3PMP22HBB
SCHEMBL3827614 0.77 ADK (0.57) ADKLMNAADORA3PMP22HBB
SCHEMBL331945 0.77 LMNA (0.56) ADKLMNAADORA3PMP22HBB

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