SCHEMBL8199834

SCHEMBL8199834

C[C@@H]1SC(=O)NN=C1c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.52
PDE3A Q14432 12/20 0.52
PDE4A P27815 8/20 0.52
PDE4B Q07343 8/20 0.52
PDE4C Q08493 8/20 0.52
PDE4D Q08499 8/20 0.52
FBP1 P09467 1/20 0.45
ALDH1A1 P00352 2/20 0.35
PBRM1 Q86U86 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDC7 O00311 3/20 0.33
ROCK1 Q13464 2/20 0.33
DBF4 Q9UBU7 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
AURKA O14965 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
SCHEMBL7271444 1.00 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7343569 0.87 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6234593 0.82 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440919 0.79 FBP1 (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440910 0.76 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7323199 0.75 FBP1 (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6866194 0.74 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL13864400 0.73 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7435349 0.71 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6790609 0.70 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110471-A ADMINISTERING PHOSPHODIESTERASE FOR INHIBITION OF THE CYCLES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-08-29 US claimed