SCHEMBL28985286

SCHEMBL28985286

COC(=O)CCc1c(NC(C)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 3/20 0.42
MAPT P10636 1/20 0.42
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL28031644 0.81 L3MBTL1 (0.48) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL27327851 0.81 LMNA (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL27660269 0.80 LMNA (0.46) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL4857407 0.77 KMT2A (0.45) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL4852458 0.77 KMT2A (0.54) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL18801901 0.75 LMNA (0.51) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL7913797 0.74 PDGFRB (0.48) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL6239057 0.74 MAPT (0.43) PKMALDH1A1LMNAKMT2AMEN1
SCHEMBL733777 0.74 KMT2A (0.69) PKMALDH1A1KMT2AMEN1RAB9A
SCHEMBL29740651 0.74 KMT2A (0.69) PKMALDH1A1KMT2AMEN1RAB9A

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-113845485-B Amino acid derivative and preparation method and application thereof 湖南中医药大学 2023-03-14 CN disclosed