SCHEMBL5242783

SCHEMBL5242783

COc1cc(-c2cc(OC(=O)NCCCc3cccnc3)c(=O)[nH]n2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 12/20 0.49
▸ GSK3B P49841 1/20 0.44
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ APP P05067 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL5231224 0.88 GSK3B (0.46) PTAFRGSK3BHDAC3HDAC4HDAC1
SCHEMBL13986945 0.87 GSK3B (0.58) PTAFRGSK3BRECQLHDAC3HDAC4
SCHEMBL5231115 0.85 GSK3B (0.46) PTAFRGSK3BHDAC3HDAC4HDAC1
SCHEMBL5244050 0.78 GSK3B (0.61) PTAFRGSK3B
SCHEMBL5231152 0.76 GSK3B (0.55) GSK3BAPP
SCHEMBL5230846 0.76 GSK3B (0.76) PTAFRGSK3BHDAC3HDAC1HDAC2
SCHEMBL13986937 0.75 GSK3B (0.61) PTAFRGSK3BHDAC3HDAC4HDAC1
SCHEMBL5232027 0.74 EPHX1 (0.51) GSK3BRECQL
SCHEMBL5243802 0.74 GSK3B (0.55) PTAFRGSK3B
SCHEMBL13987013 0.72 GSK3B (0.62) PTAFRGSK3BHDAC3HDAC4HDAC1

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-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 — — EP claimed
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