SCHEMBL4384095

SCHEMBL4384095

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
MTOR P42345 1/20 0.49
MDM2 Q00987 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC29A1 Q99808 1/20 0.42
P2RY12 Q9H244 2/20 0.41
P2RY2 P41231 1/20 0.40
POLA1 P09884 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39
ST6GAL1 P15907 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
SCHEMBL845632 0.87 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL9467302 0.86 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL20668731 0.86 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL13003005 0.86 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL26320640 0.86 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL24353169 0.86 LMNA (0.47) LMNATHRBMTORMDM2NCOA1
SCHEMBL20668750 0.85 TSHR (0.46) LMNATHRBMTORMDM2NCOA1
SCHEMBL13623603 0.81 LMNA (0.46) LMNATHRBMTORMDM2NCOA1
SCHEMBL13610749 0.81 LMNA (0.46) LMNATHRBMTORMDM2NCOA1
SCHEMBL19953828 0.81 LMNA (0.46) 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-2124555-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION Merck & Co., Inc. (US) 2009-12-02 EP disclosed
WO-2008085508-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2008-07-17 WO disclosed