SCHEMBL7803076

SCHEMBL7803076

CCC1SC(=O)N(Cc2ccc(NC(=O)C(C)C)cc2)N=C1c1ccc(OC(F)(F)F)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.42
PDE4A P27815 10/20 0.42
PDE4B Q07343 10/20 0.42
PDE4C Q08493 10/20 0.42
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
F11 P03951 1/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
KCNB1 Q14721 1/20 0.36

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
SCHEMBL7800721 0.97 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7793070 0.93 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7792925 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7802856 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798523 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802838 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800553 0.91 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798525 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7799065 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7798646 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed