SCHEMBL9044857

SCHEMBL9044857

COc1ccc(C(O[C@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ccc(N)nc2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
MTOR P42345 1/20 0.56
MDM2 Q00987 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
TYMP P19971 1/20 0.43
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC29A1 Q99808 1/20 0.42
ST6GAL1 P15907 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
GLA P06280 1/20 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
SCHEMBL2401698 0.90 LMNA (0.52) LMNATHRBMTORMDM2NCOA1
SCHEMBL2401695 0.90 LMNA (0.52) LMNATHRBMTORMDM2NCOA1
SCHEMBL27543972 0.86 LMNA (0.52) LMNATHRBMTORMDM2NCOA1
SCHEMBL1737308 0.85 TYMP (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL5505017 0.84 TYMP (0.51) LMNATHRBMTORMDM2NCOA1
SCHEMBL5505015 0.84 TYMP (0.51) LMNATHRBMTORMDM2NCOA1
SCHEMBL7527348 0.83 P2RY6 (0.53) LMNATHRBMTORMDM2NCOA1
SCHEMBL5710025 0.82 TYMP (0.62) LMNATHRBMTORMDM2NCOA1
SCHEMBL17223094 0.82 TYMP (0.51) LMNATHRBMTORMDM2NCOA1
SCHEMBL31390283 0.81 TYMP (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed