SCHEMBL3678709

SCHEMBL3678709

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLG P54098 3/20 0.67
POLB P06746 1/20 0.61
P2RY2 P41231 10/20 0.59
P2RY4 P51582 6/20 0.59
P2RY6 Q15077 4/20 0.59
P2RY12 Q9H244 2/20 0.47

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
SCHEMBL3687553 0.90 POLB (0.62) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL3681643 0.90 POLB (0.62) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL29725285 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL12729518 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL12595481 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL23414482 0.89 POLG (0.69) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL703664 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL18785037 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL29030090 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6
Deoxycytidine Triphosphate SCHEMBL42135 0.89 POLB (0.78) POLGPOLBP2RY2P2RY4P2RY6

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