SCHEMBL11041201

SCHEMBL11041201

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.52
POLB P06746 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PKM P14618 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
GBA1 P04062 4/20 0.33
CYP3A4 P08684 1/20 0.33
CDK1 P06493 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL11025105 0.95 SLC29A1 (0.47) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11030078 0.94 SLC29A1 (0.46) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11026053 0.93 SLC29A1 (0.50) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11032117 0.93 SLC29A1 (0.52) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11028323 0.92 SLC29A1 (0.45) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11043039 0.91 SLC29A1 (0.47) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11023685 0.90 PDE4A (0.45) SLC29A1POLBHTTPDE4APDE4B
SCHEMBL11042976 0.89 SLC29A1 (0.49) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL2459746 0.89 PDE4A (0.55) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11048887 0.88 SLC29A1 (0.42) SLC29A1POLBHTTKDM4EALDH1A1

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