SCHEMBL8308772

SCHEMBL8308772

CCCCS(=O)(=O)NC1Cc2ccc(C3=NN(C)C(=O)CC3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
GRIA2 P42262 11/20 0.38
NR1H2 P55055 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL8302587 0.82 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8306283 0.81 LMNA (0.47) HDAC8PDE4APDE4BPDE4CPDE4D
SCHEMBL8307326 0.74 HDAC8 (0.51) HDAC8PDE4APDE4BPDE4CPDE4D
SCHEMBL8302585 0.74 MAPT (0.46) HDAC8PDE4APDE4BPDE4CPDE4D
SCHEMBL8719932 0.72 ALDH1A1 (0.42) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8303647 0.71 HDAC8 (0.45) HDAC8GRIA2NR1H2
SCHEMBL8308839 0.71 PSEN1 (0.69) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8720034 0.71 HDAC8 (0.42) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8304894 0.71 HDAC8 (0.40) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8304993 0.70 GRIA2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579059-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-12 EP disclosed
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed