SCHEMBL7206013

SCHEMBL7206013

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1cc(C#C[Si](C)(C)C)c(N)nc1=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADK P55263 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
SCHEMBL8192637 1.00 CA9 (0.31) CA9CA12CA1CA2ALDH1A1
SCHEMBL3825915 0.91 CA9 (0.32) CA9CA12CA1CA2ALDH1A1
SCHEMBL8184762 0.91 CA9 (0.32) CA9CA12CA1CA2ALDH1A1
SCHEMBL3821746 0.88 LMNA (0.32) CA9CA12CA1CA2ALDH1A1
SCHEMBL8197142 0.88 LMNA (0.32) CA9CA12CA1CA2ALDH1A1
SCHEMBL8196689 0.87 CA9 (0.32) CA9CA12CA1CA2ALDH1A1
SCHEMBL3825432 0.87 CA9 (0.32) CA9CA12CA1CA2ALDH1A1
SCHEMBL3820964 0.87 ADK (0.39) CA9CA12CA1CA2ALDH1A1
SCHEMBL8184085 0.86 ADORA2A (0.33) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL3826075 0.86 ADORA2A (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6005098-A 5'deoxycytidine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed