SCHEMBL9645934

SCHEMBL9645934

NNC(=O)c1ccc2ccc(N)cc2c1C(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GFER P55789 2/20 0.42
MAPT P10636 8/20 0.41
KDM4E B2RXH2 6/20 0.41
GAA P10253 7/20 0.41
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
PTPN1 P18031 1/20 0.37
KLKB1 P03952 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 2/20 0.35

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
SCHEMBL9645930 0.90 MAPT (0.48) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL7522996 0.83 ALDH1A1 (0.59) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL856182 0.79 MAPT (0.50) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL28053983 0.79 GAA (0.54) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL3966514 0.78 ALDH1A1 (0.38) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL189572 0.78 KLKB1 (0.41) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL436632 0.76 ALDH1A1 (0.52) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL712806 0.75 MAPT (0.50) ALDH1A1MAPTKDM4EGAATDP1
Water SCHEMBL1648598 0.74 ALDH1A1 (0.50) ALDH1A1GFERMAPTKDM4EGAA
SCHEMBL8759303 0.74 ALDH1A1 (0.50) ALDH1A1GFERMAPTKDM4EGAA

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
US-5106762-A Hydrophilic oligopeptides containing luminescent or fluorescent labels and metal or ammonium salt groups; immunoassay; water solubility; sensitivity GEORGETOWN UNIVERSITY (US) 1992-04-21 US disclosed