SCHEMBL7798911

SCHEMBL7798911

CCCC(=O)Nc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)C(CC)SC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.49
PDE4A P27815 15/20 0.49
PDE4B Q07343 15/20 0.49
PDE4C Q08493 15/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MET P08581 1/20 0.49
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 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
SCHEMBL7798982 0.95 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798860 0.94 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798577 0.93 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798662 0.91 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800554 0.91 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802809 0.91 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798660 0.91 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798585 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798581 0.89 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798587 0.89 PDE4D (0.49) 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