SCHEMBL8304993

SCHEMBL8304993

CCCS(=O)(=O)NC1Cc2ccc(-c3ccc(=O)n(C)n3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 16/20 0.43
CYP1A2 P05177 1/20 0.39
CREBBP Q92793 1/20 0.39
NR1H2 P55055 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
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
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8307491 0.81 GRIA2 (0.45) GRIA2CYP1A2PSEN1PSEN2APH1B
SCHEMBL8303647 0.79 HDAC8 (0.45) GRIA2NR1H2
SCHEMBL8304894 0.79 HDAC8 (0.40) GRIA2CYP1A2NR1H2PSEN1PSEN2
SCHEMBL8715200 0.78 PDE4A (0.48) GRIA2NR1H2HRH3PSEN1PSEN2
SCHEMBL9414691 0.77 HDAC8 (0.38) GRIA2NR1H2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL8718128 0.77 HDAC8 (0.37) GRIA2NR1H2PSEN1PSEN2APH1B
SCHEMBL8308496 0.76 ALDH1A1 (0.52) GRIA2NR1H2
SCHEMBL8305943 0.76 HDAC8 (0.37) GRIA2CYP1A2PSEN1PSEN2APH1B
SCHEMBL8304185 0.75 HDAC8 (0.37) GRIA2CYP1A2NR1H2PSEN1PSEN2
SCHEMBL8302585 0.74 MAPT (0.46) GRIA2CYP1A2PSEN1PSEN2APH1B

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