SCHEMBL31001588

SCHEMBL31001588

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.54
▸ P2RX1 P51575 2/20 0.54
▸ P2RX4 Q99571 2/20 0.54
▸ DOT1L Q8TEK3 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ EP300 Q09472 1/20 0.46
▸ PRKACA P17612 2/20 0.45

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
SCHEMBL31001514 0.90 P2RX3 (0.54) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001613 0.87 P2RX3 (0.48) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001625 0.86 DOT1L (0.48) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001587 0.85 DOT1L (0.50) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001541 0.84 DOT1L (0.49) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001611 0.84 DOT1L (0.48) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001586 0.84 DOT1L (0.48) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001622 0.83 P2RX3 (0.52) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL31001554 0.83 P2RX3 (0.51) P2RX3P2RX1P2RX4DOT1LRXFP1
SCHEMBL17777367 0.82 DOT1L (0.61) P2RX3P2RX1P2RX4DOT1LRXFP1

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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