SCHEMBL6932191

SCHEMBL6932191

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

nearest known ligand 0.57

Predicted protein targets (top 13)

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
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
GLA P06280 1/20 0.49
P2RY2 P41231 1/20 0.47
ST6GAL1 P15907 5/20 0.45
NT5E P21589 1/20 0.45
POLA1 P09884 1/20 0.44

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
SCHEMBL6060610 0.90 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL236108 0.90 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL11852751 0.89 LMNA (0.67) LMNATHRBMTORMDM2NCOA1
SCHEMBL10887181 0.88 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL10887173 0.88 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL5824295 0.87 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL2031869 0.86 LMNA (0.55) LMNATHRBMTORMDM2NCOA1
SCHEMBL12724455 0.86 LMNA (0.60) LMNATHRBMTORMDM2NCOA1
SCHEMBL11807658 0.85 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL10589686 0.85 LMNA (0.48) 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-1363927-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES Pharmasset Limited (US) 2003-11-26 EP disclosed
WO-2002070533-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES PHARMASSET LTD. (BB) 2002-09-12 WO disclosed