SCHEMBL11029563

SCHEMBL11029563

[O-][S+]1CCN(c2nc(NCCO)nc3c(SCCO)ncnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.47
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL11028065 0.93 SLC29A1 (0.45) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11029347 0.90 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11031534 0.90 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11029641 0.90 PDE4A (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11027412 0.88 SLC29A1 (0.48) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049810 0.87 PDE4A (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2460092 0.86 SLC29A1 (0.45) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11028181 0.85 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049628 0.85 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11032824 0.85 SLC29A1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
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