SCHEMBL29391899

SCHEMBL29391899

[N-]=[N+]=NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.71
▸ P2RY2 P41231 2/20 0.71
▸ P2RX1 P51575 2/20 0.71
▸ P2RX3 P56373 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ SRC P12931 1/20 0.71
▸ P2RX4 Q99571 1/20 0.71
▸ P2RX2 Q9UBL9 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ MACROD2 A1Z1Q3 1/20 0.67
▸ SIRT6 Q8N6T7 1/20 0.67
▸ MACROD1 Q9BQ69 1/20 0.67
▸ TRPM2 O94759 1/20 0.67
▸ TAS1R3 Q7RTX0 1/20 0.63
▸ TAS1R1 Q7RTX1 1/20 0.63
▸ RNASEL Q05823 1/20 0.62

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
SCHEMBL14277706 0.90 P2RY1 (0.77) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL22174629 0.90 P2RY1 (0.77) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL22184403 0.90 P2RY1 (0.75) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL29521316 0.86 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL10069136 0.84 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL21067711 0.84 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL2934890 0.84 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL14205963 0.84 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL4357990 0.84 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL6516963 0.84 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165549-A1 METHODS AND SYSTEMS FOR COMPUTATIONAL DECODING OF BIOLOGICAL, CHEMICAL, AND PHYSICAL ENTITIES Nautilus Biotechnology, Inc. (US) 2023-04-19 — — EP disclosed
EP-3963091-A1 METHODS AND SYSTEMS FOR INTEGRATED ON-CHIP SINGLE-MOLECULE DETECTION Nautilus Biotechnology, Inc. (US) 2022-03-09 — — EP disclosed
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