SCHEMBL8197142

SCHEMBL8197142

CCC#Cc1cn([C@@H]2O[C@H](C)C(OC(C)=O)C2OC(C)=O)c(=O)nc1N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ADK P55263 1/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL3821746 1.00 LMNA (0.32) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL8184085 0.92 ADORA2A (0.33) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3826075 0.92 ADORA2A (0.33) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL3827289 0.91 LMNA (0.35) LMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL8184069 0.91 LMNA (0.35) LMNAALDH1A1SMN1; SMN2HIF1A
SCHEMBL3825915 0.89 CA9 (0.32) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL8184762 0.89 CA9 (0.32) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL8192637 0.88 CA9 (0.31) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL7206013 0.88 CA9 (0.31) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL8196689 0.85 CA9 (0.32) LMNAALDH1A1TP53MAPTTDP1

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-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed