SCHEMBL20924992

SCHEMBL20924992

O=C(CC(=O)C(=O)NCc1ccccc1)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
MCL1 Q07820 1/20 0.56
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.53
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3087061 0.86 GAA (0.73) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL3056874 0.83 KMT2A (0.71) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL622501 0.82 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL9403358 0.81 GAA (0.58) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL24276173 0.81 ALDH1A1 (0.59) GAAKMT2AMEN1PLAAT3PLAAT5
SCHEMBL1867492 0.79 ALDH1A1 (0.61) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL7326454 0.79 PLAAT5 (0.82) GAAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL28481947 0.78 ALDH1A1 (0.56) GAAKMT2AMEN1PLAAT3PLAAT5
SCHEMBL7126303 0.78 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL6578808 0.78 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1

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
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed