SCHEMBL8046490

SCHEMBL8046490

Nc1ncnc2c1nc(-c1oc(O)cc1[P@@](=O)(O)OC1CCCCC1)n2CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 17/20 0.55
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
TRPM2 O94759 1/20 0.43
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL8046435 0.84 FBP1 (0.54) FBP1TRPM2
SCHEMBL5732048 0.69 ADORA2A (0.72) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5358382 0.64 FBP1 (1.00) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6346450 0.64 FBP1 (1.00) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5358021 0.64 ADORA2A (0.69) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5364361 0.63 ADORA2A (1.00) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5359008 0.63 FBP1 (0.68) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5357844 0.62 ADORA2A (0.73) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3120333 0.61 HSP90AB1 (0.50) ADORA2AADORA1
SCHEMBL1914306 0.61 ADORA2A (0.71) FBP1ADORA2AADORA1ADORA3ADORA2B

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
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed