SCHEMBL7798604

SCHEMBL7798604

CCOC(=O)Nc1ccc(CN2N=C(c3ccc(OC(F)F)c(OC)c3)C(CC)SC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.42
PDE4B Q07343 13/20 0.42
PDE4A P27815 12/20 0.42
PDE4C Q08493 12/20 0.42
MET P08581 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL7793001 0.97 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CMET
SCHEMBL7801776 0.94 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CMET
SCHEMBL7801792 0.93 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CMET
SCHEMBL7798692 0.91 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CMET
SCHEMBL7798760 0.91 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7798784 0.91 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CMET
SCHEMBL7792953 0.91 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL7792937 0.91 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL7798579 0.90 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL8194930 0.90 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C

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