SCHEMBL11045486

SCHEMBL11045486

[O-][S+]1CCN(c2nc(NCCO)nc3c(N4CCCCCC4)ncnc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.68
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
GBA1 P04062 6/20 0.39
POLB P06746 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE2A O00408 1/20 0.37
RGS12 O14924 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCC5 O15440 1/20 0.37

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
SCHEMBL11030143 1.00 SLC29A1 (0.68) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11026116 0.99 SLC29A1 (0.66) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL10972595 0.93 SLC29A1 (0.58) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11041201 0.87 SLC29A1 (0.52) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11024886 0.86 SLC29A1 (0.51) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11026053 0.85 SLC29A1 (0.50) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL10970635 0.85 SLC29A1 (0.47) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL10972553 0.85 SLC29A1 (0.47) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL10967183 0.84 SLC29A1 (0.46) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11042976 0.84 SLC29A1 (0.49) 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