SCHEMBL7428186

SCHEMBL7428186

CC(Cl)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.49
PDE3B Q13370 6/20 0.44
PDE3A Q14432 6/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
HSD11B1 P28845 1/20 0.40
MAOB P27338 2/20 0.40
MAPK14 Q16539 1/20 0.40
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL7430045 0.87 PGR (0.50) PGRPDE3BPDE3APDK2PDK4
SCHEMBL7432516 0.85 PGR (0.49) PGRPDE3BPDE3APDK2PDK4
SCHEMBL7426392 0.85 PGR (0.49) PGRPDE3BPDE3APDK2PDK4
SCHEMBL31117112 0.81 PGR (0.45) PGRPDE3BPDE3APDK2PDK4
SCHEMBL1874397 0.80 PGR (0.55) PGRPDE3BPDE3APDK2PDK4
SCHEMBL7380517 0.79 PGR (0.34) PGRPDK2PDK4HSD11B1
SCHEMBL5680486 0.78 PGR (0.50) PGRPDE3BPDE3APDK2PDK4
SCHEMBL7482208 0.77 PGR (0.42) PGRPDE3BPDE3APDK2PDK4
SCHEMBL31117087 0.76 PGR (0.41) PGRPDE3BPDE3APDK2PDK4
SCHEMBL7379550 0.76 PGR (0.51) PGRPDE3BPDE3APDK2PDK4

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-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP disclosed