SCHEMBL8304894

SCHEMBL8304894

CCCCS(=O)(=O)NC1Cc2ccc(-c3ccc(=O)n(CC#N)n3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
GRIA2 P42262 15/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CYP1A2 P05177 1/20 0.35
NR1H2 P55055 2/20 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
SCHEMBL8303647 0.86 HDAC8 (0.45) HDAC8GRIA2NR1H2
SCHEMBL8715200 0.85 PDE4A (0.48) HDAC8GRIA2PSEN1PSEN2APH1B
SCHEMBL8308496 0.82 ALDH1A1 (0.52) HDAC8GRIA2NR1H2
SCHEMBL9414691 0.82 HDAC8 (0.38) HDAC8GRIA2PSEN1PSEN2APH1B
SCHEMBL8304185 0.81 HDAC8 (0.37) HDAC8GRIA2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL8718128 0.81 HDAC8 (0.37) HDAC8GRIA2PSEN1PSEN2APH1B
SCHEMBL8305943 0.81 HDAC8 (0.37) HDAC8GRIA2PSEN1PSEN2APH1B
SCHEMBL8304993 0.79 GRIA2 (0.43) GRIA2PSEN1PSEN2APH1BNCSTN
SCHEMBL9414967 0.78 HDAC8 (0.45) HDAC8GRIA2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL8719903 0.78 HDAC8 (0.45) HDAC8GRIA2PSEN1PSEN2APH1B

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