SCHEMBL4388097

SCHEMBL4388097

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.60
P2RX3 P56373 4/20 0.60
ENPP1 P22413 2/20 0.60
P2RX1 P51575 2/20 0.60
P2RX4 Q99571 2/20 0.60
P2RY6 Q15077 1/20 0.60
P2RY11 Q96G91 1/20 0.60
RNASEL Q05823 4/20 0.59
P2RY12 Q9H244 2/20 0.58
P2RY2 P41231 2/20 0.56
P2RX2 Q9UBL9 2/20 0.56
SRC P12931 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR17 Q13304 2/20 0.55
MACROD2 A1Z1Q3 1/20 0.55
SIRT6 Q8N6T7 1/20 0.55
MACROD1 Q9BQ69 1/20 0.55
TRPM2 O94759 1/20 0.55

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
SCHEMBL4388119 1.00 P2RY1 (0.60) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL4725713 0.87 LMNA (0.60) SMN1; SMN2
SCHEMBL4725716 0.87 LMNA (0.60) SMN1; SMN2
SCHEMBL625113 0.84 P2RY1 (0.72) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL20901220 0.84 P2RY1 (0.72) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL19442379 0.84 P2RY1 (0.72) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL14948858 0.84 P2RY1 (0.72) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL14853693 0.84 P2RY1 (0.72) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL14928757 0.84 P2RY1 (0.72) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL309060 0.83 P2RY1 (0.71) P2RY1P2RX3ENPP1P2RX1P2RX4

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-20090298708-A1 2'-DEOXY-2'-FLUORO-BETA-D-ARABINONUCLEOSIDE 5'-TRIPHOSPHATES AND THEIR USE IN ENZYMATIC NUCLEIC ACID SYNTHESIS MASAD DAMHA J 2009-12-03 US disclosed