SCHEMBL6828934

SCHEMBL6828934

O=C1C=CC2=C(C1)NC1=C(CCCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PLCG1 P19174 1/20 0.30
APEX1 P27695 1/20 0.30
APOBEC3A P31941 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR2 Q92731 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL943110 0.70 GSK3A (0.46) GSK3AGSK3BALDH1A1
SCHEMBL7338785 0.69 GSK3A (0.43) GSK3AGSK3BALDH1A1
SCHEMBL6829797 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29697065 0.68 CRBN (0.38) HPGDHTTMEN1ALDH1A1POLB
SCHEMBL9527717 0.66 GSK3A (0.46) GSK3AGSK3BALDH1A1
SCHEMBL5132370 0.65 HPGD (0.36) HPGDHTTMEN1ALDH1A1POLB
SCHEMBL4725102 0.63 GSK3A (0.42) GSK3AGSK3B
SCHEMBL6479874 0.62 ALDH1A1 (0.36) GSK3AGSK3BALDH1A1
SCHEMBL7627774 0.62 ALDH1A1 (0.36) GSK3AGSK3BALDH1A1
SCHEMBL3672037 0.59 CRBN (0.44) GSK3AGSK3BMAPT

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-2004037792-A2 BENZO (F) QUINOLINONE VARIANTS AS NUCLEAR HORMONE RECEPTOR LIGANDS KARO BIO AB (SE) 2004-05-06 WO disclosed