SCHEMBL5229836

SCHEMBL5229836

O=C(NCc1ccc(Cl)cc1)Oc1cc(-c2ccc(O)cc2)n[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
MAPT P10636 5/20 0.52
TP53 P04637 1/20 0.47
ALPL P05186 3/20 0.41
CA12 O43570 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAOB P27338 1/20 0.40
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL5234548 0.89 MAPT (0.49) GSK3BMAPTTP53
SCHEMBL5227844 0.89 GSK3B (0.57) GSK3BMAPTTP53ALPLMEN1
SCHEMBL5231030 0.87 GSK3B (0.55) GSK3BMAPTTP53ALPLMEN1
SCHEMBL5230770 0.87 GSK3B (0.71) GSK3BMAPTTP53HDAC3HDAC4
SCHEMBL5228636 0.87 GSK3B (0.48) GSK3BMAPTTP53ALPLMEN1
SCHEMBL5231152 0.86 GSK3B (0.55) GSK3BMAPTTP53
SCHEMBL5243212 0.81 GSK3B (0.45) GSK3BMAPTTP53MEN1KMT2A
SCHEMBL4854012 0.81 GSK3B (0.76) GSK3BMAPTTP53ALPLCA12
SCHEMBL5243973 0.79 TSHR (0.48) GSK3BMAPTMAOBPTGESDAO
SCHEMBL5229171 0.79 GSK3B (0.42) GSK3BMAPTHDAC3HDAC4HDAC1

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
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP claimed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP claimed