SCHEMBL7527348

SCHEMBL7527348

COc1ccc(C(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2n2ccc(NC(=O)c3ccccc3)nc2=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.53
P2RY14 Q15391 2/20 0.53
NT5E P21589 1/20 0.53
POLB P06746 1/20 0.49
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
MTOR P42345 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
TYMP P19971 1/20 0.42
P2RY2 P41231 3/20 0.40
P2RY4 P51582 2/20 0.40
ST6GAL1 P15907 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14440571 0.85 P2RY6 (0.61) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL14429055 0.85 P2RY6 (0.61) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL18152610 0.85 P2RY6 (0.57) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL6928957 0.85 P2RY6 (0.55) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL6930829 0.83 P2RY6 (0.60) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL6930835 0.83 P2RY6 (0.60) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL19841274 0.83 P2RY6 (0.60) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL25605651 0.83 P2RY6 (0.45) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL9044857 0.83 LMNA (0.56) LMNATHRBMTORMDM2NCOA1
SCHEMBL12259074 0.83 P2RY6 (0.58) P2RY6P2RY14NT5EPOLBABL1

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
EP-1186306-A1 Labeled nucleosides and method for their preparation K.U. Leuven Research & Development (BE) 2002-03-13 EP disclosed