SCHEMBL31001640

SCHEMBL31001640

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SARS1 P49591 1/20 0.62
▸ P2RY1 P47900 5/20 0.59
▸ P2RY2 P41231 3/20 0.59
▸ SRC P12931 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TRPM2 O94759 2/20 0.59
▸ TAS1R3 Q7RTX0 2/20 0.59
▸ TAS1R1 Q7RTX1 2/20 0.59
▸ DNPH1 O43598 1/20 0.59
▸ PRKAB2 O43741 1/20 0.59
▸ LDHA P00338 1/20 0.59
▸ ADRB2 P07550 1/20 0.59
▸ FBP1 P09467 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ PRKAG1 P54619 1/20 0.59
▸ PRKAA2 P54646 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ PRKAA1 Q13131 1/20 0.59
▸ PDE3A Q14432 1/20 0.59

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
SCHEMBL31001603 0.91 DOT1L (0.59) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL31001551 0.87 P2RY1 (0.61) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL4819105 0.83 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL1513014 0.83 P2RY1 (0.77) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL31001531 0.83 EPRS1 (0.65) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL4825208 0.82 P2RY1 (0.72) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL2167873 0.81 P2RY1 (0.84) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL30151699 0.80 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL8365323 0.80 P2RY1 (0.76) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine Phosphate SCHEMBL17144429 0.80 P2RY1 (0.76) P2RY1P2RY2SRCSMN1; SMN2TRPM2

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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