SCHEMBL31001622

SCHEMBL31001622

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NP(=O)(OCCCCCCN)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.52
▸ P2RX1 P51575 3/20 0.52
▸ P2RX4 Q99571 3/20 0.52
▸ PI4KA P42356 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ DOT1L Q8TEK3 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.40
▸ P2RY12 Q9H244 3/20 0.40
▸ AMD1 P17707 2/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ DNPH1 O43598 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ SRC P12931 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
SCHEMBL31001604 0.94 P2RX3 (0.51) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001618 0.93 P2RX3 (0.50) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001565 0.93 P2RX3 (0.49) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001642 0.93 P2RX3 (0.49) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001554 0.90 P2RX3 (0.51) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001514 0.88 P2RX3 (0.54) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001625 0.85 DOT1L (0.48) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001611 0.85 DOT1L (0.48) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001586 0.84 DOT1L (0.48) P2RX3P2RX1P2RX4PI4KAPI4K2B
SCHEMBL31001588 0.83 P2RX3 (0.54) P2RX3P2RX1P2RX4PI4KAPI4K2B

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
Send feedback