SCHEMBL7793201

SCHEMBL7793201

CCC1SC(=O)N(Cc2ccc(NC(=O)C(F)(F)F)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.51
PDE4A P27815 16/20 0.51
PDE4B Q07343 16/20 0.51
PDE4C Q08493 16/20 0.51
POLB P06746 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL7792884 0.94 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7792933 0.93 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL6661186 0.92 PDE4D (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802865 0.91 PDE4A (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7798856 0.91 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7792755 0.91 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7792938 0.90 PDE4A (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7802776 0.90 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800667 0.89 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802059 0.89 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CPOLB

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