SCHEMBL29847201

SCHEMBL29847201

NC(=O)C1CC(CNC(=O)c2cccc(Oc3ccccc3)c2)=NO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.47
▸ LOX P28300 2/20 0.45
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CHRM3 P20309 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL24518155 0.87 RAB9A (0.46) NPC1RAB9APKMHDAC8LMNA
SCHEMBL29846648 0.87 RAB9A (0.46) NPC1RAB9APKMHDAC8LMNA
SCHEMBL24518166 0.87 RAB9A (0.46) NPC1RAB9APKMHDAC8LOX
SCHEMBL29846393 0.82 POLB (0.50) NPC1RAB9AHDAC8LMNAKMT2A
SCHEMBL29846534 0.82 LMNA (0.43) NPC1RAB9APKMHDAC8LMNA
SCHEMBL25400308 0.80 LMNA (0.41) NPC1RAB9APKMHDAC8LMNA
SCHEMBL25400303 0.80 LMNA (0.41) NPC1RAB9APKMHDAC8LMNA
SCHEMBL29846775 0.78 RAB9A (0.54) NPC1RAB9APKMHDAC8LOX
SCHEMBL24518060 0.76 RAB9A (0.37) NPC1RAB9APKMHDAC8LOX
SCHEMBL5246552 0.74 HPGD (0.72) NPC1RAB9AHDAC8LOXLOXL2

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
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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