SCHEMBL10187239

SCHEMBL10187239

C[C@@]1(F)C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.51
▸ P2RX3 P56373 4/20 0.41
▸ P2RX1 P51575 3/20 0.41
▸ P2RX4 Q99571 3/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.38
▸ RNASEL Q05823 4/20 0.37
▸ POLG P54098 2/20 0.37
▸ ENTPD1 P49961 1/20 0.36

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
SCHEMBL10149537 0.84 POLRMT (0.56) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL15682895 0.82 POLRMT (0.55) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL24340456 0.81 POLRMT (0.53) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL23047607 0.81 POLRMT (0.53) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL20059049 0.81 POLRMT (0.55) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL3699139 0.81 POLRMT (0.55) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL13519829 0.81 POLRMT (0.55) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL16710862 0.81 POLRMT (0.55) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL16480932 0.80 POLRMT (0.54) POLRMTP2RX3P2RX1P2RX4P2RX2
SCHEMBL23960110 0.80 POLRMT (0.57) POLRMTP2RX3P2RX1P2RX4P2RX2

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
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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