SCHEMBL11042976

SCHEMBL11042976

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.49
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 8/20 0.33
CDK1 P06493 3/20 0.33
CDK2 P24941 2/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
CDK5 Q00535 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
SCHEMBL11026053 0.89 SLC29A1 (0.50) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11041201 0.89 SLC29A1 (0.52) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11028323 0.88 SLC29A1 (0.45) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2454175 0.88 SLC29A1 (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11047352 0.87 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11025105 0.87 SLC29A1 (0.47) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11023869 0.86 SLC29A1 (0.39) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11026116 0.85 SLC29A1 (0.66) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11032117 0.85 SLC29A1 (0.52) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11045486 0.84 SLC29A1 (0.68) 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