SCHEMBL4382770

SCHEMBL4382770

CCCONc1nc(I)nc2c1ncn2C1OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
ADORA3 P0DMS8 5/20 0.48
ADORA1 P30542 5/20 0.48
ADORA2A P29274 4/20 0.48
ACHE P22303 3/20 0.45
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
IARS1 P41252 1/20 0.41

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
SCHEMBL4382762 1.00 LMNA (0.59) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4382768 1.00 LMNA (0.59) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4382469 0.93 LMNA (0.61) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4382470 0.93 LMNA (0.61) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4382476 0.93 LMNA (0.61) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4384638 0.90 LMNA (0.63) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4384642 0.90 LMNA (0.63) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4384643 0.90 LMNA (0.63) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4806275 0.89 LMNA (0.64) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4806268 0.89 LMNA (0.64) 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-1537135-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2009-11-25 EP disclosed
US-6914053-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2005-07-05 US disclosed