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Sugi Predict / Compounds / SCHEMBL622268

SCHEMBL622268

SCHEMBL622268

O=c1ccn([C@H]2O[C@@H](C(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 14/20 0.62
▸ P2RY6 Q15077 8/20 0.60
▸ P2RY4 P51582 6/20 0.56
▸ P2RY14 Q15391 4/20 0.53

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
SCHEMBL622267 1.00 P2RY2 (0.62) P2RY2P2RY6P2RY4P2RY14
SCHEMBL5068300 0.98 P2RY2 (0.63) P2RY2P2RY6P2RY4P2RY14
Uridine SCHEMBL338288 0.91 P2RY2 (0.65) P2RY2P2RY6P2RY4P2RY14
Uridine SCHEMBL5875869 0.91 P2RY2 (0.65) P2RY2P2RY6P2RY4P2RY14
Uridine SCHEMBL5875823 0.91 P2RY2 (0.65) P2RY2P2RY6P2RY4P2RY14
SCHEMBL4779843 0.89 P2RY2 (0.55) P2RY2P2RY6P2RY4
SCHEMBL2800171 0.88 P2RY2 (0.61) P2RY2P2RY6P2RY4P2RY14
SCHEMBL622266 0.88 P2RY2 (0.54) P2RY2P2RY6P2RY4P2RY14
SCHEMBL2167291 0.87 P2RY2 (0.62) P2RY2P2RY6P2RY4P2RY14
SCHEMBL607048 0.87 P2RY2 (0.62) P2RY2P2RY6P2RY4P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012019437-A1 BLADDER CANCER TUMOR MARKER, ANTIBIOTIC AND APPLICATION THEREOF 中国科学院生物物理研究所 (CN) 2012-02-16 — — WO claimed
WO-2012019437-A1 BLADDER CANCER TUMOR MARKER, ANTIBIOTIC AND APPLICATION THEREOF 中国科学院生物物理研究所 (CN) 2012-02-16 — — WO disclosed