SCHEMBL8469585

SCHEMBL8469585

OC[C@H]1OC[C@H](n2cnc3c(Cl)ncnc32)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TYMP P19971 1/20 0.37
▸ ADA P00813 1/20 0.37
▸ FDPS P14324 1/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ SLC29A1 Q99808 3/20 0.36
▸ ADORA3 P0DMS8 3/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ AHCY P23526 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLC28A1 O00337 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ SLC28A2 O43868 1/20 0.36
▸ GAPDH P04406 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL8469767 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTYMP
SCHEMBL8471132 0.82 ADORA3 (0.56) ADORA2BADORA3ADORA2AADORA1AHCY
SCHEMBL9035740 0.82 NT5E (0.41) PDE4DSLC29A1ADORA3ADORA1AHCY
SCHEMBL8470470 0.82 NT5E (0.41) PDE4DSLC29A1ADORA3ADORA1AHCY
SCHEMBL9707007 0.82 CYP1A2 (0.44) ADORA2BADORA2AMAPK1SMN1; SMN2HIF1A
SCHEMBL8470556 0.79 LMNA (0.43) PDE4APDE4BPDE4CPDE4DTYMP
SCHEMBL8471133 0.79 LMNA (0.43) PDE4APDE4BPDE4CPDE4DTYMP
SCHEMBL9115171 0.78 FGFR1 (0.38) PDE4APDE4BPDE4CPDE4DTYMP
SCHEMBL9115181 0.78 FGFR1 (0.38) PDE4APDE4BPDE4CPDE4DTYMP
SCHEMBL9035660 0.75 AHCY (0.52) PDE4DADORA2BADORA3ADORA2AAHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2960164-B2 — — 1999-10-06 — — JP claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 — — EP claimed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 — — EP claimed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 — — WO claimed
EP-0560794-B1 SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 1996-09-18 — — EP disclosed
EP-0560794-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES. IAF BIOCHEM INT (CA) 1993-09-22 — — EP disclosed
WO-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 — — WO disclosed
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