SCHEMBL8809236

SCHEMBL8809236

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NT5E P21589 1/20 0.42
HINT1 P49773 2/20 0.42
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
ADORA1 P30542 3/20 0.40
ACHE P22303 4/20 0.40

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
SCHEMBL8811718 0.92 LMNA (0.64) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9620185 0.92 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL12219209 0.84 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL12194727 0.84 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL12939443 0.84 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6221774 0.84 HINT1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6222354 0.84 ADORA2A (0.52) ADORA2AADORA2B
SCHEMBL9620169 0.84 ALDH1A1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL18672138 0.82 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6223064 0.81 PRKAB2 (0.46) ALDH1A1LMNATP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547910-B1 A process for preparing 2-chloro-2'-deoxyadenosine ORTHO PHARMA CORP (US) 1997-03-05 EP disclosed
EP-0547910-A1 A process for preparing 2-chloro-2'-deoxyadenosine ORTHO PHARMACEUTICAL CORPORATION (US) 1993-06-23 EP disclosed
US-5208327-A Intermediates useful in a synthesis of 2-chloro-2'-deoxyadenosine ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 US disclosed
EP-0269574-B1 NOVEL ADENOSINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS AN ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-03-18 EP disclosed
US-4843066-A HYPOTENSIVE AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed
EP-0269574-A2 Novel adenosine derivatives and pharmaceutical compositions containing them as an active ingredient NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1988-06-01 EP disclosed