SCHEMBL7801934

SCHEMBL7801934

CCC1SC(=O)N(CCc2ccc(NC(=O)C(C)=O)cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.46
PDE4A P27815 17/20 0.46
PDE4B Q07343 17/20 0.46
PDE4C Q08493 17/20 0.46
TP53 P04637 1/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 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
SCHEMBL7801937 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL7802039 0.93 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800586 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798492 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800703 0.91 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802858 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800757 0.90 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7793014 0.89 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL7798590 0.89 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800686 0.89 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CPDE3B

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