SCHEMBL8715202

SCHEMBL8715202

CCCCS(=O)(=O)NC1Cc2ccc(C(=O)CC(C#N)c3ccccc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
NR1H2 P55055 4/20 0.37
KMT2A Q03164 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
TBXA2R P21731 1/20 0.35
GRIA2 P42262 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33

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
SCHEMBL8715178 0.87 HDAC8 (0.53) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715218 0.81 HDAC8 (0.53) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715420 0.80 HDAC8 (0.52) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8305408 0.79 HDAC8 (0.60) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715413 0.78 HDAC8 (0.65) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL9414745 0.75 HDAC8 (0.57) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715374 0.75 HDAC8 (0.57) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8308839 0.73 PSEN1 (0.69) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL445137 0.68 HDAC8 (1.00) HDAC8
SCHEMBL1754734 0.66 TSHR (0.53) KMT2A

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