SCHEMBL2180644

SCHEMBL2180644

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
PDE3A Q14432 3/20 0.49
MTOR P42345 2/20 0.49
PDE4D Q08499 1/20 0.49
SLC29A1 Q99808 1/20 0.49
THRB P10828 1/20 0.49
MDM2 Q00987 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CACNA1F O60840 2/20 0.37
ALB P02768 2/20 0.37
MAPT P10636 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
POLA1 P09884 1/20 0.35
GMNN O75496 1/20 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
SCHEMBL3272285 0.90 LMNA (0.51) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL1896532 0.88 LMNA (0.49) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL31070840 0.88 LMNA (0.49) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL27989845 0.87 PDE3A (0.47) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL28878518 0.87 PDE3A (0.47) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL7775032 0.87 LMNA (0.48) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL6385398 0.86 LMNA (0.47) LMNAPDE3AMTORPDE4DSLC29A1
Phosphoric Acid SCHEMBL16655013 0.86 LMNA (0.47) LMNAPDE3AMTORPDE4DSLC29A1
Phosphoric Acid SCHEMBL21645281 0.86 LMNA (0.47) LMNAPDE3AMTORPDE4DSLC29A1
SCHEMBL15239320 0.86 LMNA (0.47) LMNAPDE3AMTORPDE4DSLC29A1

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 4 patents. 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
CN-102115485-A Prodrug based on cytosine arabinoside structure, and synthesis method and application thereof SANLUGEN PHARMATECH 2011-07-06 CN disclosed
CN-101525361-B Prodrug based on gemcitabine structure as well as synthesizing method and application thereof JINAN SHENGLUJIN PHARMACEUTICAL TECHNOLOGY DEV CO LTD 2010-11-17 CN disclosed
CN-101525361-A Prodrug based on gemcitabine structure as well as synthesizing method and application thereof SANLUGEN PHARMATECH DEV CO LTD 2009-09-09 CN disclosed