SCHEMBL2057095

SCHEMBL2057095

[N-]=[N+]=NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
P2RX1 P51575 4/20 0.51
P2RX3 P56373 4/20 0.51
P2RX2 Q9UBL9 2/20 0.51
P2RY1 P47900 4/20 0.50
ENPP1 P22413 2/20 0.50
RNASEL Q05823 1/20 0.50
P2RY2 P41231 3/20 0.49
P2RX4 Q99571 3/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8174805 0.86 POLB (0.59) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL8167619 0.86 POLB (0.59) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL8175190 0.85 POLB (0.60) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL596737 0.85 POLB (0.56) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL3522303 0.84 RNASEL (0.67) P2RX1P2RX3P2RX2P2RY1RNASEL
SCHEMBL24058345 0.83 P2RX3 (0.59) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL19569906 0.83 P2RX3 (0.59) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL17685630 0.83 P2RX3 (0.59) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL15694835 0.83 P2RX3 (0.59) POLBP2RX1P2RX3P2RX2P2RY1
SCHEMBL19569909 0.83 P2RX3 (0.59) POLBP2RX1P2RX3P2RX2P2RY1

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-20110020799-A1 Screening method for damaged DNA repairing substance NAGASAKI UNIVERSITY 2011-01-27 US disclosed