SCHEMBL11047352

SCHEMBL11047352

CCCC(CC)Nc1ncnc2c(N3CC[S+]([O-])CC3)nc(NCCO)nc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.42
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL11045018 0.89 PDE4A (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049626 0.87 PDE4A (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11042976 0.87 SLC29A1 (0.49) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11025105 0.86 SLC29A1 (0.47) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11026053 0.84 SLC29A1 (0.50) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11041201 0.84 SLC29A1 (0.52) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11024479 0.84 KDM4E (0.32) KDM4E
SCHEMBL11032117 0.84 SLC29A1 (0.52) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11051919 0.83 SLC29A1 (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11028323 0.83 SLC29A1 (0.45) SLC29A1PDE4APDE4BPDE4CPDE4D

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
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP disclosed