SCHEMBL11034833

SCHEMBL11034833

Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OCCO)[C@@H](O)[C@@H]2O)c(=O)n1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 6/20 0.68
LMNA P02545 1/20 0.64
THRB P10828 1/20 0.64
MTOR P42345 1/20 0.64
MDM2 Q00987 1/20 0.64
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
TSHR P16473 1/20 0.61
GLA P06280 1/20 0.61
P2RY6 Q15077 6/20 0.60
ST6GAL1 P15907 5/20 0.60
P2RY4 P51582 3/20 0.60

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
SCHEMBL11611645 0.94 P2RY2 (0.75) P2RY2LMNATHRBMTORMDM2
SCHEMBL29369985 0.89 P2RY2 (0.84) P2RY2LMNATHRBMTORMDM2
SCHEMBL20992890 0.88 P2RY2 (0.74) P2RY2LMNATHRBMTORMDM2
SCHEMBL25070751 0.88 P2RY2 (0.70) P2RY2LMNATHRBMTORMDM2
SCHEMBL39904 0.88 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL18785149 0.88 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL25070737 0.88 P2RY2 (0.70) P2RY2LMNATHRBMTORMDM2
SCHEMBL154172 0.88 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL532547 0.88 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL13135198 0.88 P2RY2 (0.70) P2RY2LMNATHRBMTORMDM2

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
JP-59048498-A None JP disclosed
JP-S5948498-A 1-BETA-D-ARABINOFURANOSYLCYTOSINE-5'-PHOSPHORIC ACID DERIVATIVE YAMASA SHOYU CO LTD 1984-03-19 JP disclosed