SCHEMBL27735995

SCHEMBL27735995

Nc1ccn([C@@H]2O[C@H](COC(=O)C(F)(F)F)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
THRB P10828 1/20 0.65
MTOR P42345 1/20 0.65
MDM2 Q00987 1/20 0.65
NCOA1 Q15788 1/20 0.65
NCOA3 Q9Y6Q9 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.54
GLA P06280 1/20 0.54
P2RY2 P41231 1/20 0.54
ST6GAL1 P15907 7/20 0.51

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
SCHEMBL10612107 0.89 LMNA (0.65) LMNATHRBMTORMDM2NCOA1
SCHEMBL331768 0.87 LMNA (0.70) LMNATHRBMTORMDM2NCOA1
SCHEMBL30608768 0.87 LMNA (0.74) LMNATHRBMTORMDM2NCOA1
SCHEMBL22387116 0.86 P2RY6 (0.52) LMNATHRBMTORMDM2NCOA1
SCHEMBL6060610 0.86 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL15798740 0.86 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL16555170 0.86 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL236108 0.86 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
Trifluoroacetic Acid SCHEMBL4666697 0.85 LMNA (0.62) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL11852751 0.85 LMNA (0.67) LMNATHRBMTORMDM2NCOA1

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
CN-101252839-A Novel 2 '-C-methyl and 4' -C-methyl nucleoside derivatives MERCK & CO INC (US) 2008-08-27 CN disclosed