SCHEMBL8970435

SCHEMBL8970435

CCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.62
EHMT1 Q9H9B1 1/20 0.58
PRKACA P17612 2/20 0.58
AHCY P23526 2/20 0.57
RXFP1 Q9HBX9 1/20 0.56
HSP90B1 P14625 1/20 0.56
MARS1 P56192 1/20 0.55
ABCB1 P08183 1/20 0.54

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
SCHEMBL10585105 0.92 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL8970112 0.90 EHMT1 (0.52) NT5EEHMT1PRKACAAHCYRXFP1
SCHEMBL10587627 0.89 EHMT1 (0.71) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL10587414 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL5561909 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL5364744 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL1669299 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL14696397 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL12800893 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1
SCHEMBL5375737 0.88 EHMT1 (0.69) EHMT1PRKACAAHCYRXFP1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417999-B1 Antiviral compounds WELLCOME FOUND (GB) 1996-03-13 EP disclosed
EP-0671410-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-13 EP disclosed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 US disclosed
EP-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 EP disclosed