SCHEMBL28668646

SCHEMBL28668646

COc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.79
HIF1A Q16665 1/20 0.77
EPAS1 Q99814 1/20 0.77
KMT2A Q03164 4/20 0.74
HSD17B10 Q99714 1/20 0.74
MAPT P10636 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
TNF P01375 1/20 0.69
NOD2 Q9HC29 1/20 0.69
NOD1 Q9Y239 1/20 0.69
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
LMNA P02545 2/20 0.64
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 1/20 0.63
GALR3 O60755 1/20 0.63
BTK Q06187 1/20 0.63
MAPK14 Q16539 1/20 0.63
HDAC6 Q9UBN7 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61

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
SCHEMBL28248353 0.89 KMT2A (0.80) PKMHIF1AEPAS1KMT2AHSD17B10
SCHEMBL14409556 0.86 SMN1; SMN2 (0.67) PKMHIF1AEPAS1MAPTTNF
SCHEMBL13747820 0.86 SMN1; SMN2 (0.67) PKMHIF1AEPAS1MAPTTNF
SCHEMBL14845834 0.86 BTK (0.67) PKMHIF1AEPAS1MAPTTNF
SCHEMBL28643431 0.86 RAB9A (0.73) PKMHIF1AEPAS1MAPTTNF
SCHEMBL24024030 0.86 RAB9A (0.73) PKMHIF1AEPAS1MAPTTNF
SCHEMBL15853659 0.85 HIF1A (0.69) PKMHIF1AEPAS1KMT2AHSD17B10
SCHEMBL15651745 0.85 BTK (0.65) PKMHIF1AEPAS1KMT2AMAPT
SCHEMBL28300862 0.85 BTK (0.68) HIF1AEPAS1KMT2AHSD17B10MAPT
SCHEMBL878663 0.84 BTK (0.64) PKMHIF1AEPAS1MAPTL3MBTL1

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-108623537-B Synthesis and application of aromatic amine acetylcholinesterase inhibitor containing amine side chain 中南大学 2021-11-12 CN disclosed