SCHEMBL7798660

SCHEMBL7798660

CCCC(=O)Nc1ccc(CN2N=C(c3ccc(OC)c(OC)c3)C(CC)SC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.48
PDE4A P27815 15/20 0.48
PDE4B Q07343 15/20 0.48
PDE4C Q08493 15/20 0.48
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7802751 0.95 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802066 0.95 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7801582 0.94 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792824 0.94 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792979 0.94 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800737 0.93 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798578 0.93 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798623 0.93 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798955 0.93 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802736 0.93 PDE4D (0.42) 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