SCHEMBL31087264

SCHEMBL31087264

CC(=O)c1ccccc1NC(=O)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 2/20 0.58
GRM4 Q14833 8/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL28611795 1.00 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3381752 0.88 NPC1 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18906043 0.85 HDAC1 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28613060 0.85 MCL1 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29643990 0.85 MCL1 (0.68) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11446166 0.84 POLB (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL7989152 0.84 HDAC1 (0.77) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3564099 0.84 HDAC1 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28921792 0.84 NPC1 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28625315 0.84 GRM4 (0.59) HDAC6NPC1RAB9AGRM4MAPT

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