SCHEMBL7380385

SCHEMBL7380385

CC1SC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.53
PDE4B Q07343 8/20 0.53
PDE4C Q08493 8/20 0.53
PDE4D Q08499 8/20 0.53
PDE3B Q13370 7/20 0.53
PDE3A Q14432 7/20 0.53
PARK7 Q99497 1/20 0.41
PGR P06401 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 3/20 0.36
KCNH2 Q12809 1/20 0.36
FBP1 P09467 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL7372496 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7435984 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7427542 0.82 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7376882 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7379032 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7429700 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7438382 0.79 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7381431 0.78 PDE3B (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7435625 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7431591 0.77 PDE3B (0.58) PDE4APDE4BPDE4CPDE4DPDE3B

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
EP-0381374-A1 Phosphodiesterase inhibitors LES LABORATOIRES BEECHAM S.A. (FR) 1990-08-08 EP claimed
EP-0381374-A1 Phosphodiesterase inhibitors LES LABORATOIRES BEECHAM S.A. (FR) 1990-08-08 EP disclosed