SCHEMBL17198475

SCHEMBL17198475

CC(=O)OC[C@@H]1CO[C@@H](n2ccc(N)nc2=O)[C@@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
THRB P10828 2/20 0.42
MTOR P42345 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
P2RY2 P41231 1/20 0.39
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
PDE3A Q14432 2/20 0.38
NT5E P21589 1/20 0.38
POLA1 P09884 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6536598 0.81 LMNA (0.53) LMNATHRBMTORMDM2NCOA1
SCHEMBL10813233 0.81 LMNA (0.53) LMNATHRBMTORMDM2NCOA1
SCHEMBL9068649 0.81 LMNA (0.53) LMNATHRBMTORMDM2NCOA1
SCHEMBL2238447 0.81 LMNA (0.53) LMNATHRBMTORMDM2NCOA1
SCHEMBL17198380 0.81 TDP1 (0.45) LMNATHRBP2RY2SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL7932700 0.80 LMNA (0.52) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL4977129 0.80 LMNA (0.52) LMNATHRBMTORMDM2NCOA1
SCHEMBL10431963 0.80 LMNA (0.50) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL4977138 0.80 LMNA (0.52) LMNATHRBMTORMDM2NCOA1
SCHEMBL11793030 0.79 LMNA (0.57) 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-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed