SCHEMBL1401952

SCHEMBL1401952

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
TMIGD3 P0DMS9 2/20 0.38
ADORA3 P0DMS8 11/20 0.37
ADORA1 P30542 5/20 0.37
ADORA2A P29274 1/20 0.37
AHCY P23526 2/20 0.36

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
SCHEMBL239127 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1401951 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL12003121 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8960068 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3714471 1.00 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242481 0.93 LMNA (0.40) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13177712 0.91 HTR2C (0.38) HTR2CHTR2BTMIGD3ADORA3ADORA1
SCHEMBL4352873 0.91 LMNA (0.39) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13211904 0.89 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL10158794 0.86 ADORA3 (0.53) ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed