SCHEMBL11049810

SCHEMBL11049810

[O-][S+]1CCN(c2nc(NCCO)nc3c(SCCCc4ccccc4)ncnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SLC29A1 Q99808 4/20 0.40
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
GBA1 P04062 2/20 0.34
CDK1 P06493 2/20 0.33
CDK2 P24941 2/20 0.33
CDK5 Q00535 2/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CCNB2 O95067 1/20 0.33

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
SCHEMBL11029641 0.96 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL2460092 0.89 SLC29A1 (0.45) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11029563 0.87 SLC29A1 (0.47) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11046570 0.86 CYP1A2 (0.40) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11031534 0.85 SLC29A1 (0.42) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11048920 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11028065 0.85 SLC29A1 (0.45) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11049547 0.84 SLC29A1 (0.40) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL10972196 0.84 SLC29A1 (0.40) PDE4APDE4BPDE4CPDE4DSLC29A1
SCHEMBL11062725 0.84 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DSLC29A1

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