SCHEMBL11028323

SCHEMBL11028323

CC(C)CCNc1ncnc2c(N3CC[S+]([O-])CC3)nc(NCCO)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.45
POLB P06746 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 1/20 0.33
TSHR P16473 2/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
RAB9A P51151 1/20 0.31
HKDC1 Q2TB90 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
SCHEMBL11041201 0.92 SLC29A1 (0.52) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11025105 0.89 SLC29A1 (0.47) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11042976 0.88 SLC29A1 (0.49) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11026053 0.88 SLC29A1 (0.50) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11032117 0.87 SLC29A1 (0.52) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11030078 0.86 SLC29A1 (0.46) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL11043039 0.85 SLC29A1 (0.47) SLC29A1POLBHTTKDM4EALDH1A1
SCHEMBL10659532 0.85 TSHR (0.38) SLC29A1POLBALDH1A1LMNAPDE4A
SCHEMBL11029347 0.84 SLC29A1 (0.42) SLC29A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL11048887 0.83 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