SCHEMBL751563

SCHEMBL751563

C[C@]1(C(O)C(=O)c2ccccc2)O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](F)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.33
AHCY P23526 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 4/20 0.33
ADORA2B P29275 4/20 0.33
GNMT Q14749 1/20 0.32

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
SCHEMBL746752 0.89 LMNA (0.38) LMNAADORA3
SCHEMBL748569 0.82 HINT1 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5313453 0.79 TYMP (0.40) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL749811 0.72 RNASE1 (0.38) TYMPLMNA
SCHEMBL8620535 0.71 TYMP (0.42) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL6424553 0.70 P2RX7 (0.34) TYMPP2RX7
SCHEMBL748797 0.69 HIF1A (0.31) LMNA
SCHEMBL9893618 0.67 LMNA (0.45) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL8915086 0.67 LMNA (0.38) LMNAADORA3ADORA2A
SCHEMBL6384023 0.67 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B

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-2430034-A1 2'-FLUORO ARABINO NUCLEOSIDES AND USE THEREOF Southern Research Institute (US) 2012-03-21 EP disclosed
WO-2010132513-A1 2'-FLUORO ARABINO NUCLEOSIDES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2010-11-18 WO disclosed