SCHEMBL9787151

SCHEMBL9787151

CSc1ccc(C(=O)c2[nH]c(=S)[nH]c2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.70
PDE4B Q07343 5/20 0.70
PDE4C Q08493 5/20 0.70
PDE4D Q08499 5/20 0.70
TSHR P16473 3/20 0.70
ALOX15 P16050 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
NFKB1 P19838 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
ATM Q13315 1/20 0.70
PDE3B Q13370 1/20 0.70
PDE3A Q14432 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HSD17B10 Q99714 1/20 0.70
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 3/20 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
Enoximone SCHEMBL44049 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTSHR
Enoximone SCHEMBL5153559 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9787264 0.82 LMNA (0.47) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9787252 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9787361 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9787097 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7438756 0.80 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7430668 0.78 NPSR1 (0.47) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9787057 0.78 MAPT (0.55) PDE4APDE4BPDE4CPDE4DTSHR
Enoximone SCHEMBL5702415 0.78 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868197-A REDUCING INJURY CAUSED BY REINTRODUCTION OF OXYGEN TO HEART TISSUE AFTER ATTACK MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-19 US claimed
US-4999365-A Preventing damage which occurs to heart tissue when oxygen is reintroduced after a heart attack MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-12 US disclosed
US-4868197-A REDUCING INJURY CAUSED BY REINTRODUCTION OF OXYGEN TO HEART TISSUE AFTER ATTACK MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-19 US disclosed
US-4868197-A REDUCING INJURY CAUSED BY REINTRODUCTION OF OXYGEN TO HEART TISSUE AFTER ATTACK MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-19 US disclosed
EP-0284925-A2 Use of imidazol-2-thiones for the preparation of a medicament for reducing myocardial stunning MERRELL DOW PHARMACEUTICALS INC. (US) 1988-10-05 EP disclosed