SCHEMBL7798476

SCHEMBL7798476

COc1ccc(C2=NN(Cc3ccc(NC(N)=O)cc3)C(=O)SC2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.49
PDE4B Q07343 13/20 0.49
PDE4C Q08493 13/20 0.49
PDE4D Q08499 13/20 0.49
MET P08581 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
PAX8 Q06710 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL7802859 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL27592843 0.93 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7801784 0.93 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7801593 0.92 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7800724 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7800726 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7800888 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7802819 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7798645 0.90 PDE4B (0.57) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7800764 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMET

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