SCHEMBL31001586

SCHEMBL31001586

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NP(=O)(OCCCCCCNC(=O)OCc1ccccc1)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.48
▸ P2RX3 P56373 3/20 0.45
▸ P2RX1 P51575 2/20 0.45
▸ P2RX4 Q99571 2/20 0.45
▸ P2RY12 Q9H244 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PRKACA P17612 2/20 0.41
▸ P2RY2 P41231 2/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PLA2G2A P14555 1/20 0.39

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
SCHEMBL31001611 0.95 DOT1L (0.48) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001625 0.95 DOT1L (0.48) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001581 0.94 DOT1L (0.48) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001549 0.93 DOT1L (0.47) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001587 0.93 DOT1L (0.50) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001474 0.92 DOT1L (0.46) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001541 0.92 DOT1L (0.49) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001565 0.87 P2RX3 (0.49) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001519 0.84 DOT1L (0.57) DOT1LP2RX3P2RX1P2RX4P2RY12
SCHEMBL31001622 0.84 P2RX3 (0.52) DOT1LP2RX3P2RX1P2RX4P2RY12

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-2024177959-A1 SMALL MOLECULE TRACER LIGANDS FOR AMINOACYL-TRNA SYNTHETASE ASSAYS THE GENERAL HOSPITAL CORPORATION (US) 2024-08-29 — — WO disclosed
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