SCHEMBL8970443

SCHEMBL8970443

CCCCCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.63
NT5E P21589 3/20 0.62
RXFP1 Q9HBX9 1/20 0.59
AHCY P23526 1/20 0.55
ADORA1 P30542 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
DNPH1 O43598 1/20 0.54
PRKAB2 O43741 1/20 0.54
TRPM2 O94759 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
SRC P12931 1/20 0.54
P2RY2 P41231 1/20 0.54
P2RY1 P47900 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
PRKAA1 Q13131 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
SCHEMBL1637468 0.91 EHMT1 (0.76) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL9231760 0.91 EHMT1 (0.76) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL10865966 0.90 EHMT1 (0.74) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL1920531 0.90 EHMT1 (0.74) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL8970121 0.89 EHMT1 (0.56) EHMT1NT5ERXFP1AHCYADORA1
SCHEMBL29936475 0.88 EHMT1 (0.74) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL8671033 0.88 EHMT1 (0.74) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL8671037 0.88 EHMT1 (0.74) EHMT1RXFP1AHCYADORA1SMN1; SMN2
SCHEMBL1582614 0.88 EHMT1 (0.62) EHMT1RXFP1AHCYADORA1ADORA3
SCHEMBL10590849 0.87 EHMT1 (0.66) EHMT1RXFP1AHCYADORA1SMN1; SMN2

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