SCHEMBL4558108

SCHEMBL4558108

CCCCCCCC(C(N)=O)n1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 3/20 0.50
HDAC8 Q9BY41 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
ADA P00813 2/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL5407954 0.90 HDAC8 (0.51) ASAH1HDAC8DNMT3AMEN1HPGD
SCHEMBL668253 0.89 ASAH1 (0.51) ASAH1HDAC8DNMT3AADAMEN1
SCHEMBL4558105 0.81 ASAH1 (0.48) ASAH1HDAC8DNMT3AADAMEN1
SCHEMBL7854777 0.80 ASAH1 (0.51) ASAH1ADAMEN1HPGDKMT2A
SCHEMBL21388677 0.80 ASAH1 (0.51) ASAH1ADAMEN1HPGDKMT2A
SCHEMBL21559595 0.80 ASAH1 (0.51) ASAH1ADAMEN1HPGDKMT2A
SCHEMBL27846962 0.79 HDAC8 (0.53) ASAH1HDAC8DNMT3AMEN1HPGD
SCHEMBL14740043 0.79 MEN1 (0.48) ASAH1HDAC8DNMT3AADAMEN1
SCHEMBL3795625 0.78 HDAC8 (0.55) ASAH1HDAC8DNMT3AMEN1HPGD
SCHEMBL26202221 0.78 ASAH1 (0.49) ASAH1ADAMEN1HPGDKMT2A

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-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed