SCHEMBL7798692

SCHEMBL7798692

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.44
PDE4A P27815 14/20 0.44
PDE4B Q07343 14/20 0.44
PDE4C Q08493 14/20 0.44
MET P08581 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 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
SCHEMBL7801776 0.97 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7793001 0.94 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798881 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802792 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798791 0.93 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7801935 0.93 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL8180776 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800692 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792877 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7801791 0.91 PDE4D (0.42) 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