SCHEMBL7800563

SCHEMBL7800563

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.43
PDE4A P27815 11/20 0.43
PDE4B Q07343 11/20 0.43
PDE4C Q08493 11/20 0.43
TP53 P04637 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
SCHEMBL7801995 0.97 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL8189801 0.94 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL7792925 0.94 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7800703 0.93 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798523 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802856 0.92 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
SCHEMBL8180774 0.91 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