SCHEMBL7792888

SCHEMBL7792888

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.43
PDE4A P27815 10/20 0.43
PDE4B Q07343 10/20 0.43
PDE4C Q08493 10/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
EPHX2 P34913 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
SCHEMBL7798691 0.98 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802871 0.98 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800576 0.95 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7801582 0.95 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792824 0.95 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792979 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802066 0.92 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798642 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792927 0.91 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792958 0.91 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