SCHEMBL3825432

SCHEMBL3825432

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)nc1N

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADK P55263 2/20 0.31
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
ACHE P22303 2/20 0.30
DOT1L Q8TEK3 1/20 0.30

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
SCHEMBL8196689 1.00 CA9 (0.32) CA9CA12CA1CA2LMNA
SCHEMBL3820964 0.89 ADK (0.39) CA9CA12CA1CA2LMNA
SCHEMBL8184762 0.88 CA9 (0.32) CA9CA12CA1CA2LMNA
SCHEMBL3825915 0.88 CA9 (0.32) CA9CA12CA1CA2LMNA
SCHEMBL8192637 0.87 CA9 (0.31) CA9CA12CA1CA2LMNA
SCHEMBL7206013 0.87 CA9 (0.31) CA9CA12CA1CA2LMNA
SCHEMBL8197142 0.85 LMNA (0.32) CA9CA12CA1CA2LMNA
SCHEMBL3821746 0.85 LMNA (0.32) CA9CA12CA1CA2LMNA
SCHEMBL2584829 0.85 LMNA (0.48) CA9CA12CA1CA2LMNA
SCHEMBL13990050 0.84 ADK (0.35) CA9CA12CA1CA2LMNA

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-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6211166-B1 COADMINISTERED WITH A 5-FLUOROURACIL DERIVATIVE; ANTICARCINOGENIC AGENTS HOFFMAN-LA ROCHE INC. 2001-04-03 US disclosed
US-6114520-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
US-6005098-A 5'deoxycytidine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed