SCHEMBL3687553

SCHEMBL3687553

Nc1ccn([C@H]2CC(CO)[C@@H](COP(=O)(O)O)O2)c(=O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
TK1 P04183 2/20 0.54
POLG P54098 2/20 0.52
P2RY2 P41231 4/20 0.51
P2RY4 P51582 3/20 0.51
P2RY6 Q15077 2/20 0.51
LMNA P02545 3/20 0.51
CACNA1F O60840 2/20 0.51
ALB P02768 2/20 0.51
MAPT P10636 2/20 0.51
CACNA1D Q01668 2/20 0.51
CACNA1S Q13698 2/20 0.51
CACNA1C Q13936 2/20 0.51
PDE3A Q14432 2/20 0.51
THRB P10828 1/20 0.47
MTOR P42345 1/20 0.47
MDM2 Q00987 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
POLA1 P09884 1/20 0.46

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
SCHEMBL3681643 1.00 POLB (0.62) POLBTK1POLGP2RY2P2RY4
SCHEMBL3678709 0.90 POLG (0.67) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL12940502 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL12595477 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL48317 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL23751346 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL846006 0.87 LMNA (0.53) POLBTK1POLGP2RY2P2RY4
SCHEMBL1971070 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL18784963 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL17833253 0.87 POLB (0.80) POLBPOLGP2RY2P2RY4P2RY6

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
US-7829548-B2 Compounds useful in the treatment of HIV MEDIVIR AB (SE) 2010-11-09 US disclosed
EP-1835916-B1 COMPOUNDS USEFUL IN THE TREATMENT OF HIV MEDIVIR AB (SE) 2009-04-01 EP disclosed