SCHEMBL7798502

SCHEMBL7798502

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.49
PDE4A P27815 15/20 0.49
PDE4B Q07343 15/20 0.49
PDE4C Q08493 15/20 0.49
MET P08581 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
CNR1 P21554 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7798786 0.93 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7801754 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798662 0.91 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7800554 0.91 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7802809 0.91 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7802756 0.91 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL7798577 0.90 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798581 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798585 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL7798587 0.89 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