SCHEMBL31001531

SCHEMBL31001531

NCCCCCCOP(=O)(NC(=O)[C@@H]1CCCN1)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPRS1 P07814 2/20 0.65
▸ P2RY1 P47900 4/20 0.55
▸ P2RY2 P41231 3/20 0.55
▸ SRC P12931 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TRPM2 O94759 2/20 0.55
▸ TAS1R3 Q7RTX0 2/20 0.55
▸ TAS1R1 Q7RTX1 2/20 0.55
▸ DNPH1 O43598 1/20 0.55
▸ PRKAB2 O43741 1/20 0.55
▸ LDHA P00338 1/20 0.55
▸ ADRB2 P07550 1/20 0.55
▸ FBP1 P09467 1/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ PRKAG1 P54619 1/20 0.55
▸ PRKAA2 P54646 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ PRKAA1 Q13131 1/20 0.55
▸ PDE3A Q14432 1/20 0.55

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
SCHEMBL31001551 0.84 P2RY1 (0.61) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL31001640 0.83 SARS1 (0.62) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL15670457 0.81 P2RY1 (0.75) EPRS1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL4819105 0.80 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL1513014 0.80 P2RY1 (0.77) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL30168548 0.80 P2RY1 (0.69) EPRS1P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL31001603 0.80 DOT1L (0.59) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL4825208 0.79 P2RY1 (0.72) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL30619433 0.79 EPRS1 (1.00) EPRS1
SCHEMBL30168549 0.79 EPRS1 (1.00) EPRS1

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