SCHEMBL23960106

SCHEMBL23960106

O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](c2ccc3c(NO)ncnn23)O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.41
▸ GPR17 Q13304 1/20 0.38
▸ P2RX3 P56373 3/20 0.36
▸ P2RX2 Q9UBL9 3/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ POLG P54098 1/20 0.35
▸ P2RY2 P41231 9/20 0.35
▸ P2RY6 Q15077 2/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ P2RY4 P51582 1/20 0.33

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
SCHEMBL23047607 0.87 POLRMT (0.53) POLRMTP2RX3P2RX2P2RX4POLG
SCHEMBL24340456 0.87 POLRMT (0.53) POLRMTP2RX3P2RX2P2RX4POLG
SCHEMBL24340455 0.85 POLRMT (0.50) POLRMTP2RX3P2RX2P2RX4POLG
SCHEMBL23959828 0.78 CYP2A6 (0.38) —
SCHEMBL22355531 0.77 POLRMT (0.43) POLRMTP2RY2P2RY1
SCHEMBL24340458 0.77 POLRMT (0.43) POLRMTP2RY2P2RY1
SCHEMBL23960110 0.73 POLRMT (0.57) POLRMTP2RX3P2RX2P2RX4P2RY2
SCHEMBL25821576 0.71 TMPRSS2 (0.51) POLRMTGPR17P2RX3P2RX2P2RX4
SCHEMBL20059049 0.71 POLRMT (0.55) POLRMTP2RX3P2RX2P2RX4POLG
SCHEMBL24982214 0.70 PDE2A (0.31) —

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-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
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