SCHEMBL9414967

SCHEMBL9414967

CCCCS(=O)(=O)NC1CCc2cc(-c3ccc(=O)n(CCN(C)C)n3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.45
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.38
USP2 O75604 2/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
ACHE P22303 4/20 0.37
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
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 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
Hydrochloric Acid SCHEMBL8719903 0.99 HDAC8 (0.45) HDAC8KMT2AMEN1POLBUSP2
SCHEMBL8303647 0.79 HDAC8 (0.45) HDAC8KMT2AMEN1USP2KDM4E
SCHEMBL8304894 0.78 HDAC8 (0.40) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL9414691 0.78 HDAC8 (0.38) HDAC8KMT2AMEN1POLBPSEN1
SCHEMBL8307154 0.78 HDAC8 (0.52) HDAC8KMT2AMEN1CA1CA2
Hydrochloric Acid SCHEMBL8718128 0.78 HDAC8 (0.37) HDAC8KMT2AMEN1POLBPSEN1
SCHEMBL8715200 0.78 PDE4A (0.48) HDAC8KMT2AMEN1POLBPSEN1
SCHEMBL8305943 0.77 HDAC8 (0.37) HDAC8KMT2AMEN1POLBPSEN1
SCHEMBL8308496 0.76 ALDH1A1 (0.52) HDAC8KMT2AMEN1POLBUSP2
SCHEMBL8304185 0.74 HDAC8 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed