SCHEMBL7798730

SCHEMBL7798730

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.42
PDE4A P27815 13/20 0.42
PDE4B Q07343 13/20 0.42
PDE4C Q08493 13/20 0.42

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
SCHEMBL7802766 0.98 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798511 0.95 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL7799057 0.95 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800730 0.94 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7801862 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802887 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792939 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798646 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802698 0.91 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798720 0.90 PDE4D (0.41) 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