SCHEMBL9160065

SCHEMBL9160065

CC(C)(C)c1cc(NC(N)=O)cc(C(C)(C)C)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.70
ALDH1A1 P00352 3/20 0.70
TDP1 Q9NUW8 1/20 0.70
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
KIF11 P52732 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
EGFR P00533 1/20 0.44
PEPD P12955 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
HPN P05981 1/20 0.42

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
SCHEMBL2276660 0.82 GAA (1.00) GAAALDH1A1TDP1CA2CA1
SCHEMBL295404 0.82 ALDH1A1 (0.72) GAAALDH1A1TDP1CA2CA1
SCHEMBL29163030 0.82 GAA (0.62) GAAALDH1A1TDP1CA2CA1
SCHEMBL9377717 0.81 GAA (0.66) GAAALDH1A1TDP1CA2CA1
SCHEMBL9648938 0.81 ALDH1A1 (0.59) GAAALDH1A1TDP1CA2CA1
SCHEMBL8335780 0.80 GAA (0.64) GAAALDH1A1TDP1CA2CA1
SCHEMBL9812317 0.79 GAA (0.68) GAAALDH1A1TDP1CA2CA1
SCHEMBL3483031 0.78 GAA (0.66) GAAALDH1A1TDP1CA2CA1
SCHEMBL9807633 0.77 GAA (0.69) GAAALDH1A1TDP1CA2CA1
SCHEMBL10747935 0.77 ALDH1A1 (0.64) GAAALDH1A1TDP1CA2CA1

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
US-5441984-A Antidiabetic agent ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
CN-1028754-C process for preparing quinoline derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-07 CN disclosed