SCHEMBL9755572

SCHEMBL9755572

CPOC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H]2O[C@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
THRB P10828 1/20 0.51
MTOR P42345 1/20 0.51
MDM2 Q00987 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
P2RY12 Q9H244 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
P2RY2 P41231 2/20 0.42
PDE3A Q14432 3/20 0.41
PDE4D Q08499 1/20 0.41
SLC29A1 Q99808 1/20 0.41
ST6GAL1 P15907 2/20 0.40
CACNA1F O60840 2/20 0.39
ALB P02768 2/20 0.39
MAPT P10636 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39

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
SCHEMBL845632 0.87 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL24127869 0.81 LMNA (0.57) LMNATHRBMTORMDM2NCOA1
SCHEMBL9755548 0.80 LMNA (0.72) LMNATHRBMTORMDM2NCOA1
SCHEMBL4384095 0.75 LMNA (0.49) LMNATHRBMTORMDM2NCOA1
SCHEMBL23907066 0.73 LMNA (0.55) LMNATHRBMTORMDM2NCOA1
SCHEMBL24117282 0.72 LMNA (0.51) LMNATHRBMTORMDM2NCOA1
SCHEMBL23254273 0.72 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL10024081 0.72 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL10024084 0.72 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL18231346 0.71 LMNA (0.73) 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-1991019727-A1 5'-HYDROGENPHOSPHONATES AND 5'-METHYLPHOSPHONATES OF SUGAR MODIFIED NUCLEOSIDES, COMPOSITIONS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-12-26 WO disclosed