SCHEMBL8720034

SCHEMBL8720034

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.42
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GRIA2 P42262 14/20 0.37
CYP1A2 P05177 1/20 0.34
NR1H2 P55055 2/20 0.34

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
SCHEMBL8306283 0.81 LMNA (0.47) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8718572 0.77 PSEN1 (0.41) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8720091 0.76 HRH3 (0.41) HRH3GRIA2
SCHEMBL8307326 0.75 HDAC8 (0.51) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8302585 0.75 MAPT (0.46) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8719932 0.73 ALDH1A1 (0.42) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8308772 0.71 HDAC8 (0.46) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8308839 0.70 PSEN1 (0.69) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8307491 0.68 GRIA2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8715413 0.68 HDAC8 (0.65) HDAC8PSEN1PSEN2APH1BNCSTN

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
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