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Sugi Predict / Compounds / SCHEMBL5144406

SCHEMBL5144406

SCHEMBL5144406

C=CC[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1N

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 13/20 0.55
▸ P2RY4 P51582 9/20 0.55
▸ P2RY6 Q15077 11/20 0.52
▸ POLA1 P09884 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
SCHEMBL8437049 0.92 P2RY2 (0.53) P2RY2P2RY4P2RY6POLA1
SCHEMBL1457065 0.84 P2RY2 (0.54) P2RY2P2RY4P2RY6POLA1
SCHEMBL8814444 0.83 P2RY2 (0.59) P2RY2P2RY4P2RY6POLA1
SCHEMBL31381447 0.83 P2RY14 (0.56) P2RY2P2RY4P2RY6POLA1
SCHEMBL8440653 0.83 P2RY2 (0.54) P2RY2P2RY4P2RY6POLA1
SCHEMBL8437841 0.82 P2RY2 (0.59) P2RY2P2RY4P2RY6POLA1
Cyanide SCHEMBL29185226 0.82 P2RY2 (0.51) P2RY2P2RY4P2RY6POLA1
SCHEMBL8439076 0.81 P2RY2 (0.55) P2RY2P2RY4P2RY6POLA1
SCHEMBL5250418 0.81 SLC28A1 (0.42) P2RY2P2RY4P2RY6
SCHEMBL8440331 0.80 P2RY2 (0.53) P2RY2P2RY4P2RY6POLA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444355-A4 NUCLEIC ACID AMPLIFICATION QIAGEN GMBH (DE) 2007-05-09 — — EP disclosed
EP-1444355-A2 NUCLEIC ACID AMPLIFICATION Qiagen GmbH (DE) 2004-08-11 — — EP disclosed
WO-2003033724-A2 NUCLEIC ACID AMPLIFICATION MOLECULAR STAGING, INC. (US) 2003-04-24 — — WO disclosed