SCHEMBL7792943

SCHEMBL7792943

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.41
PDE4A P27815 12/20 0.41
PDE4B Q07343 12/20 0.41
PDE4C Q08493 12/20 0.41
PDE3B Q13370 4/20 0.41
PDE3A Q14432 4/20 0.41
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7801746 0.98 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800736 0.97 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798955 0.95 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798785 0.95 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802066 0.93 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798578 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800735 0.92 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792824 0.91 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800576 0.90 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7801768 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B

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