SCHEMBL14204824

SCHEMBL14204824

CNCCCCCC(=O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)C1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.72
▸ P2RY2 P41231 2/20 0.72
▸ P2RX1 P51575 2/20 0.72
▸ P2RX3 P56373 2/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ SRC P12931 1/20 0.72
▸ P2RX4 Q99571 1/20 0.72
▸ P2RX2 Q9UBL9 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ MACROD2 A1Z1Q3 1/20 0.68
▸ SIRT6 Q8N6T7 1/20 0.68
▸ MACROD1 Q9BQ69 1/20 0.68
▸ TRPM2 O94759 1/20 0.68
▸ TAS1R3 Q7RTX0 1/20 0.64
▸ TAS1R1 Q7RTX1 1/20 0.64
▸ RNASEL Q05823 1/20 0.63

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
SCHEMBL22184403 0.89 P2RY1 (0.75) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL11909560 0.88 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL31212995 0.88 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL30252355 0.88 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL11909558 0.88 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL31538691 0.88 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL14230478 0.87 P2RY1 (0.73) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL14204811 0.87 P2RY1 (0.73) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL14230510 0.87 P2RY1 (0.73) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL14204807 0.87 P2RY1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365178-B2 Acyl-nucleotide probes and methods of their synthesis and use in proteomic analysis ACTIVX BIOSCIENCES, INC. (US) 2008-04-29 — — US disclosed
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