SCHEMBL7798798

SCHEMBL7798798

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.42
PDE4A P27815 12/20 0.42
PDE4B Q07343 12/20 0.42
PDE4C Q08493 12/20 0.42
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL7801791 0.97 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL7800704 0.94 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL7802756 0.93 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL7792940 0.92 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL7801776 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798760 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800667 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL7798525 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CIDO1
SCHEMBL7792937 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802799 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CIDO1

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