SCHEMBL7793065

SCHEMBL7793065

COc1ccc(C2=NN(Cc3ccc(C#N)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.53
PDE4D Q08499 8/20 0.53
PDE4A P27815 7/20 0.53
PDE4C Q08493 7/20 0.53
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
MET P08581 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL7801809 0.87 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6967895 0.86 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6658128 0.84 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7801843 0.82 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6655462 0.81 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7801940 0.81 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7792993 0.81 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7798645 0.81 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7798537 0.80 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL7798499 0.80 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE3B

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