SCHEMBL15859417

SCHEMBL15859417

O=C(CNC(=O)[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENTPD2 Q9Y5L3 3/20 0.79
ENTPD1 P49961 1/20 0.67
P2RY2 P41231 10/20 0.48
P2RY14 Q15391 4/20 0.46
P2RY6 Q15077 7/20 0.45
SLC28A1 O00337 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC29A1 Q99808 1/20 0.44
SLC28A3 Q9HAS3 1/20 0.44
P2RY4 P51582 3/20 0.44

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
SCHEMBL15859418 1.00 ENTPD2 (0.79) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3020110 1.00 ENTPD2 (0.79) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3020107 1.00 ENTPD2 (0.79) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL13211022 1.00 ENTPD2 (0.79) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3024200 0.91 ENTPD1 (0.80) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3024202 0.91 ENTPD1 (0.80) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3019597 0.91 ENTPD2 (0.65) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3019591 0.91 ENTPD2 (0.65) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3025705 0.90 ENTPD1 (0.73) ENTPD2ENTPD1P2RY2P2RY14P2RY6
SCHEMBL3025709 0.90 ENTPD1 (0.73) ENTPD2ENTPD1P2RY2P2RY14P2RY6

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-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP disclosed