SCHEMBL7792937

SCHEMBL7792937

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.43
PDE4A P27815 13/20 0.43
PDE4B Q07343 13/20 0.43
PDE4C Q08493 13/20 0.43
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP1 P22413 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
SCHEMBL7798791 0.97 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798623 0.94 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798760 0.93 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL7801776 0.93 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800737 0.93 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798528 0.92 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792953 0.92 PDE4D (0.45) PDE4DPDE4APDE4BPDE4C
SCHEMBL7792958 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL8194930 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL7793105 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CALDH1A1

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