SCHEMBL30494359

SCHEMBL30494359

Nc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.75
▸ RAB9A P51151 5/20 0.75
▸ L3MBTL1 Q9Y468 5/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ HTT P42858 4/20 0.75
▸ ALDH1A1 P00352 4/20 0.75
▸ MAPK1 P28482 3/20 0.75
▸ NPC1 O15118 3/20 0.75
▸ LMNA P02545 3/20 0.75
▸ NFKB1 P19838 1/20 0.75
▸ NFKB2 Q00653 1/20 0.75
▸ RELA Q04206 1/20 0.75
▸ BLM P54132 4/20 0.71
▸ TDP1 Q9NUW8 3/20 0.71
▸ JAK2 O60674 1/20 0.71
▸ EPHB2 P29323 1/20 0.71
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ CASP3 P42574 4/20 0.56
▸ SENP8 Q96LD8 4/20 0.56

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
SCHEMBL28675538 1.00 MAPT (0.75) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL7912631 0.86 MAPT (0.80) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL754259 0.86 MAPT (1.00) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL29633257 0.86 MAPT (1.00) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL28408126 0.84 MAPT (0.96) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL30991487 0.84 MAPT (0.71) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL29249535 0.84 MAPT (0.71) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL30991484 0.83 MAPT (0.75) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL14571425 0.83 MAPT (0.77) MAPTRAB9AL3MBTL1SMN1; SMN2HTT
SCHEMBL16297244 0.83 CASP3 (0.77) MAPTRAB9AL3MBTL1SMN1; SMN2HTT

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-113666887-B 1, 4-naphthoquinone derivative, synthesis method and application 江苏海洋大学 2023-07-28 — — CN disclosed
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