SCHEMBL31087254

SCHEMBL31087254

CC(=O)c1ccccc1NC(=O)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
HTT P42858 2/20 0.66
ALDH1A1 P00352 1/20 0.66
ALOX15 P16050 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
MAPT P10636 1/20 0.64
SIRT2 Q8IXJ6 1/20 0.61
LMNA P02545 1/20 0.60
HIF1A Q16665 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
KCNK3 O14649 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL15966615 1.00 TP53 (0.68) TP53HTTALDH1A1ALOX15L3MBTL1
SCHEMBL8819152 0.87 KDM4D (0.68) TP53HTTALDH1A1ALOX15L3MBTL1
SCHEMBL22983344 0.86 TP53 (0.77) TP53HTTALDH1A1ALOX15L3MBTL1
SCHEMBL7287487 0.85 SIRT2 (0.76) TP53HTTALDH1A1ALOX15L3MBTL1
SCHEMBL6001715 0.83 POLB (0.68) TP53HTTALDH1A1L3MBTL1LMNA
SCHEMBL15233661 0.82 POLB (0.62) TP53HTTALDH1A1HDAC3HDAC1
SCHEMBL2330387 0.82 ALDH1A1 (0.73) TP53HTTALDH1A1ALOX15L3MBTL1
SCHEMBL14880379 0.81 PKM (0.79) TP53MAPTSIRT2RXFP1TDP1
SCHEMBL1520536 0.80 HDAC1 (0.70) TP53HTTALDH1A1ALOX15L3MBTL1
SCHEMBL2339343 0.79 ALDH1A1 (1.00) TP53HTTALDH1A1ALOX15L3MBTL1

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
CN-118459438-A Synthesis method of iodine-catalyzed N-acyl-2-hydroxy-indol-3-one compound 延安大学 2024-08-09 CN disclosed