SCHEMBL7798685

SCHEMBL7798685

COc1ccc(C2=NN(Cc3cccc(NC(=O)C(C)=O)c3)C(=O)SC2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.69
PDE4D Q08499 6/20 0.69
PDE4A P27815 5/20 0.69
PDE4C Q08493 5/20 0.69
MET P08581 3/20 0.69
PDE3B Q13370 2/20 0.69
PDE3A Q14432 2/20 0.69
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
FYN P06241 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
SCHEMBL7798690 0.93 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7802139 0.93 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7800598 0.91 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7793051 0.91 PDE4B (0.75) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7792872 0.90 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7802011 0.89 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7793024 0.89 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7798991 0.89 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7798776 0.88 PDE4B (0.79) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7801960 0.88 PDE4B (0.69) PDE4BPDE4DPDE4APDE4CMET

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