SCHEMBL4065919

SCHEMBL4065919

O=C(O)c1ccc(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
CDK5 Q00535 3/20 0.49
CDK5R1 Q15078 3/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CCNE1 P24864 7/20 0.49
CDK2 P24941 7/20 0.49
FLT3 P36888 2/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
IKBKB O14920 1/20 0.48
AURKA O14965 1/20 0.48
NTRK1 P04629 1/20 0.48

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
SCHEMBL4065913 1.00 MAPT (0.51) MAPTCDK5CDK5R1GSK3AGSK3B
SCHEMBL4060329 0.84 CCNE1 (0.46) MAPTCDK5CDK5R1GSK3AGSK3B
SCHEMBL4061274 0.82 KDM4E (0.49) MAPTCDK5CDK5R1GSK3AGSK3B
SCHEMBL4029976 0.82 HRH4 (0.52) CDK5CDK5R1GSK3AGSK3BCCNE1
SCHEMBL4064005 0.80 HDAC4 (0.46) MAPTCDK5CDK5R1GSK3AGSK3B
Fumaric Acid SCHEMBL4059029 0.79 HRH4 (0.47) CDK5CDK5R1GSK3AGSK3BCCNE1
Fumaric Acid SCHEMBL4059019 0.79 HRH4 (0.47) CDK5CDK5R1GSK3AGSK3BCCNE1
Fumaric Acid SCHEMBL4059032 0.79 HRH4 (0.47) CDK5CDK5R1GSK3AGSK3BCCNE1
Hydrochloric Acid SCHEMBL4062061 0.79 HDAC4 (0.45) MAPTCDK5CDK5R1GSK3AGSK3B
SCHEMBL4065223 0.78 L3MBTL3 (0.49) CDK5CDK5R1GSK3AGSK3B

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-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed