SCHEMBL7798786

SCHEMBL7798786

CCC1SC(=O)N(Cc2cccc(NC(=O)C(F)(F)F)c2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.48
PDE4A P27815 16/20 0.48
PDE4B Q07343 16/20 0.48
PDE4C Q08493 16/20 0.48
MET P08581 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL7801754 0.94 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798502 0.93 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6661186 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CCYP1A2
SCHEMBL7800554 0.90 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7802809 0.90 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798662 0.90 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798577 0.89 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798585 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798581 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798587 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET

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