SCHEMBL17833844

SCHEMBL17833844

CSSCCCC(=O)n1c(N)nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
P2RY6 Q15077 2/20 0.47
P2RY2 P41231 1/20 0.47
P2RY4 P51582 1/20 0.47
ENPP1 P22413 4/20 0.46
P2RY1 P47900 4/20 0.46
P2RY11 Q96G91 3/20 0.46
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
P2RX4 Q99571 1/20 0.46
NT5E P21589 1/20 0.46
P2RY12 Q9H244 2/20 0.45
DTYMK P23919 4/20 0.44
RNASEL Q05823 1/20 0.43

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
SCHEMBL12729458 1.00 POLB (0.49) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL12729465 0.83 POLB (0.49) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL17833850 0.83 POLB (0.49) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL17833839 0.83 POLB (0.46) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL12729405 0.83 POLB (0.46) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL12729456 0.81 POLB (0.54) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL12729491 0.80 POLB (0.50) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL12729466 0.80 POLB (0.52) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL17833848 0.80 POLB (0.52) POLBP2RY6P2RY2P2RY4ENPP1
SCHEMBL17833843 0.79 POLB (0.54) POLBP2RY6P2RY2P2RY4ENPP1

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-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 US disclosed