SCHEMBL16631878

SCHEMBL16631878

C[C@H]1O[C@@H](n2cc3nc(F)c(=O)[nH]c3nc2=O)[C@@H](O)C1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.53
PMP22 Q01453 1/20 0.53
HBB P68871 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADK P55263 13/20 0.37
ADORA3 P0DMS8 2/20 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
SCHEMBL16631209 0.84 LMNA (0.49) LMNAMAPTPMP22HBBSMN1; SMN2
SCHEMBL18080175 0.84 LMNA (0.49) LMNAMAPTPMP22HBBSMN1; SMN2
SCHEMBL16631656 0.81 LMNA (0.53) LMNATSHRMAPTPMP22HBB
SCHEMBL16631355 0.79 LMNA (0.52) LMNATSHRMAPTPMP22HBB
SCHEMBL16631886 0.76 LMNA (0.49) LMNATSHRMAPTPMP22HBB
SCHEMBL16631887 0.76 LMNA (0.46) LMNATSHRMAPTPMP22HBB
SCHEMBL16631376 0.75 LMNA (0.51) LMNATSHRMAPTPMP22HBB
SCHEMBL18080177 0.74 P2RY2 (0.57)
SCHEMBL16631877 0.74 LMNA (0.46) LMNATSHRMAPTPMP22HBB
SCHEMBL14388655 0.74 LMNA (0.58) LMNATSHRMAPTPMP22HBB

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