SCHEMBL8332893

SCHEMBL8332893

OC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 1.00
▸ ALDH1A1 P00352 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ GLA P06280 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL8330336 0.94 ADK (0.89) ADK
SCHEMBL8524307 0.93 ADK (0.88) ADKALDH1A1LMNAGLAPMP22
SCHEMBL8329018 0.93 ADK (0.88) ADK
SCHEMBL8332519 0.93 ADK (1.00) ADK
SCHEMBL8326917 0.92 ADK (1.00) ADK
SCHEMBL8975204 0.92 ADK (1.00) ADK
SCHEMBL8326827 0.92 ADK (0.85) ADK
SCHEMBL8975521 0.92 ADK (0.85) ADK
SCHEMBL8975714 0.92 ADK (0.85) ADK
SCHEMBL8320832 0.92 ADK (0.85) ADK

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-0684953-A4 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES. GENSIA INC (US) 1999-12-22 — — EP disclosed
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 — — US disclosed
EP-0684953-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1995-12-06 — — EP disclosed
WO-1994018215-A1 ADENOSINE KINASE INHIBITORS COMPRISING LYXOFURANOSYL DERIVATIVES GENSIA, INC. (US) 1994-08-18 — — WO disclosed
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