SCHEMBL7801768

SCHEMBL7801768

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.43
PDE4A P27815 12/20 0.43
PDE4B Q07343 12/20 0.43
PDE4C Q08493 12/20 0.43
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7798642 0.98 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802751 0.95 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802066 0.95 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800576 0.94 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7792824 0.93 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7800745 0.92 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798691 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7802871 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798660 0.90 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7798771 0.90 PDE4D (0.41) 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 2 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
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed