SCHEMBL416602

SCHEMBL416602

Nc1nc(=O)n([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.55
POLB P06746 3/20 0.54
P2RY2 P41231 5/20 0.53
P2RY4 P51582 3/20 0.53
P2RY6 Q15077 3/20 0.53
DTYMK P23919 2/20 0.47
NT5E P21589 1/20 0.45
TRPM2 O94759 1/20 0.45

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
SCHEMBL149368 1.00 POLG (0.55) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL15810673 1.00 POLG (0.55) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL3470530 0.90 POLB (0.55) POLB
SCHEMBL20906735 0.90 POLG (0.56) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL2981336 0.90 POLG (0.56) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL2981333 0.90 POLG (0.56) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL25492503 0.89 POLG (0.70) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL20906738 0.89 POLG (0.55) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL20906736 0.89 POLG (0.55) POLGPOLBP2RY2P2RY4P2RY6
SCHEMBL8409011 0.89 POLG (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021427-A1 Methods For Rapid Forensic DNA Analysis IBIS BIOSCIENCE, INC (US) 2012-01-26 US disclosed