SCHEMBL2180648

SCHEMBL2180648

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

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.70
THRB P10828 1/20 0.70
MTOR P42345 1/20 0.70
MDM2 Q00987 1/20 0.70
NCOA1 Q15788 1/20 0.70
NCOA3 Q9Y6Q9 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.57
GLA P06280 1/20 0.57
P2RY2 P41231 1/20 0.57
ST6GAL1 P15907 6/20 0.55
NT5E P21589 1/20 0.50

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
SCHEMBL3272277 0.89 LMNA (0.76) LMNATHRBMTORMDM2NCOA1
SCHEMBL1896533 0.88 LMNA (0.70) LMNATHRBMTORMDM2NCOA1
SCHEMBL12988159 0.88 LMNA (0.70) LMNATHRBMTORMDM2NCOA1
SCHEMBL9856687 0.88 LMNA (0.70) LMNATHRBMTORMDM2NCOA1
SCHEMBL1139038 0.87 LMNA (0.72) LMNATHRBMTORMDM2NCOA1
SCHEMBL7775031 0.87 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL366600 0.87 LMNA (0.75) LMNATHRBMTORMDM2NCOA1
SCHEMBL5491562 0.87 LMNA (0.75) LMNATHRBMTORMDM2NCOA1
SCHEMBL4946508 0.87 LMNA (0.75) LMNATHRBMTORMDM2NCOA1
SCHEMBL11588979 0.87 LMNA (0.79) 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
WO-2011079501-A1 PRODRUG BASED ON CYTARABINE STRUCTURE AS WELL AS SYNTHESIZING METHOD AND APPLICATION THEREOF 济南圣鲁金药物技术开发有限公司 (CN) 2011-07-07 WO disclosed