SCHEMBL5806552

SCHEMBL5806552

CCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3[AsH2])cc2)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.54
KCNH2 Q12809 2/20 0.50
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2076336 0.90 HDAC1 (0.67) HDAC1KCNH2
SCHEMBL2077296 0.84 HDAC1 (0.69) HDAC1KCNH2
SCHEMBL2076403 0.81 HDAC1 (0.63) HDAC1KCNH2
SCHEMBL5106569 0.81 HDAC1 (0.58) HDAC1KCNH2TRPV1
SCHEMBL2074848 0.81 HDAC1 (0.63) HDAC1KCNH2
SCHEMBL2077612 0.80 HDAC1 (0.71) HDAC1KCNH2
SCHEMBL2077794 0.80 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL2077408 0.79 HDAC1 (0.62) HDAC1KCNH2
SCHEMBL2075411 0.79 HDAC1 (0.65) HDAC1KCNH2
SCHEMBL2077641 0.79 HDAC1 (0.67) HDAC1KCNH2

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
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed