SCHEMBL7793191

SCHEMBL7793191

COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)SC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.53
PDE4A P27815 12/20 0.53
PDE4C Q08493 9/20 0.53
PDE4D Q08499 9/20 0.53
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MET P08581 1/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL7800769 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6973161 0.87 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6657650 0.84 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7801809 0.81 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6967895 0.81 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6659885 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6663244 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655148 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6660711 0.78 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7800565 0.78 PDE4D (0.52) PDE4BPDE4APDE4CPDE4D

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