SCHEMBL8714855

SCHEMBL8714855

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.57
P2RY1 P47900 1/20 0.57
POLB P06746 1/20 0.55
ABCB1 P08183 1/20 0.55
SLC29A1 Q99808 1/20 0.55
EGFR P00533 2/20 0.51
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47

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
SCHEMBL338780 0.88 POLB (0.60) ENPP1P2RY1POLBABCB1GSK3A
SCHEMBL7644531 0.86 SLC29A1 (0.56) ENPP1P2RY1POLBSLC29A1ADORA3
SCHEMBL338677 0.86 POLB (0.57) ENPP1P2RY1POLBABCB1EGFR
SCHEMBL6423125 0.85 ABCB1 (0.76) P2RY1ABCB1EGFRGSK3ARPS6KA3
SCHEMBL7896308 0.84 SLC29A1 (0.57) ENPP1P2RY1SLC29A1
SCHEMBL7896654 0.84 POLB (0.58) POLBSLC29A1GSK3ARPS6KA3MAPK14
SCHEMBL7040477 0.82 SLC29A1 (0.57) SLC29A1ADORA3
SCHEMBL8623380 0.81 POLB (0.65) ENPP1P2RY1POLBADORA1
SCHEMBL3259692 0.81 POLB (0.65) ENPP1P2RY1POLBADORA1
SCHEMBL159558 0.81 POLB (0.56) ENPP1P2RY1POLBABCB1GSK3A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639582-B1 Polynucleotide assay reagent and method ANTIVIRALS INC (US) 1998-09-16 EP disclosed
US-5470974-A Uncharged polynucleotide-binding polymers NEU-GENE DEVELOPMENT GROUP (US) 1995-11-28 US disclosed
EP-0215942-B1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD ANTIVIRALS INC (US) 1995-07-12 EP disclosed
EP-0639582-A2 Polynucleotide assay reagent and method ANTIVIRALS INC. (US) 1995-02-22 EP disclosed
US-5217866-A Polynucleotide assay reagent and method ANTI-GENE DEVELOPMENT GROUP (US) 1993-06-08 US disclosed
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed
US-5142047-A Morpholino nucleosides for blocking targeted genetic sequence ANTI-GENE DEVELOPMENT GROUP (US) 1992-08-25 US disclosed
EP-0216860-A4 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1989-02-22 EP disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0216860-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1987-04-08 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005518-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON JAMES 1986-09-25 WO disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed