SCHEMBL11051583

SCHEMBL11051583

[O-][S+]1CCN(c2nc(NCCO)nc3c(SCc4c(Cl)cccc4Cl)ncnc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.43
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GBA1 P04062 10/20 0.38
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL11040761 0.90 SLC29A1 (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11047084 0.87 PDE4A (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11028181 0.87 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2460092 0.86 SLC29A1 (0.45) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11048512 0.86 SLC29A1 (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11029471 0.85 SLC29A1 (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11042970 0.85 ALDH1A1 (0.37) SLC29A1ALDH1A1POLBHPGDTSHR
SCHEMBL11051400 0.85 PDE4A (0.44) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11044287 0.84 SLC29A1 (0.41) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11029563 0.84 SLC29A1 (0.47) 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