SCHEMBL9601775

SCHEMBL9601775

O=Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ALB P02768 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP1A2 P05177 1/20 0.46
▸ ADA P00813 1/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ RIN1 Q13671 2/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
Didanosine SCHEMBL3364 0.83 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL1769151 0.83 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL12150307 0.83 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL29387997 0.83 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL887896 0.82 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL23254277 0.81 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL9197787 0.81 ADA (0.65) ALDH1A1LMNAALBMAPK1ADA
SCHEMBL1374909 0.81 ADA (0.65) ALDH1A1LMNAALBMAPK1ADA
SCHEMBL8094890 0.81 ADA (0.65) ALDH1A1LMNAALBMAPK1ADA
SCHEMBL20419221 0.81 ADA (0.65) ALDH1A1LMNAALBMAPK1ADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 — — EP disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 — — US disclosed
EP-0355135-A4 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES. SCRIPPS CLINIC RES (US) 1990-04-09 — — EP disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 — — EP disclosed
WO-1989004662-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-06-01 — — WO disclosed
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