SCHEMBL9752397

SCHEMBL9752397

Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.74
TRPM2 O94759 1/20 0.64
P2RY1 P47900 2/20 0.64

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
SCHEMBL9752399 1.00 ENTPD1 (0.74) ENTPD1TRPM2P2RY1
SCHEMBL12932272 0.99 ENTPD1 (0.76) ENTPD1TRPM2P2RY1
SCHEMBL1062562 0.99 ENTPD1 (0.76) ENTPD1TRPM2P2RY1
SCHEMBL30292631 0.99 ENTPD1 (0.76) ENTPD1TRPM2P2RY1
SCHEMBL9702967 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL9702452 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL20277574 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL20277592 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL29398104 0.91 ENTPD1 (0.74) ENTPD1TRPM2P2RY1
SCHEMBL636535 0.90 ENTPD1 (0.75) ENTPD1TRPM2P2RY1

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
WO-1991000346-A1 POLYNUCLEOTIDE PHOSPHORYLASE IMMOBILIZED ON TRIS(HYDROXYMETHYL)METHYLACRYLAMIDE POLYMER BEADS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO disclosed
EP-0346865-A2 Polynucleotide phosphorylase immobilized on epoxy-activated beads THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-12-20 EP disclosed