SCHEMBL28672482

SCHEMBL28672482

Nc1cccc(NC2=CC(=O)c3ccccc3C2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ LMNA P02545 4/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ L3MBTL1 Q9Y468 4/20 0.69
▸ NPC1 O15118 3/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ HTT P42858 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69
▸ RELA Q04206 1/20 0.69
▸ MAP2K7 O14733 1/20 0.64
▸ BLM P54132 4/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ EPHB2 P29323 1/20 0.57
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ CASP3 P42574 4/20 0.51

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
SCHEMBL30494363 1.00 MAPT (0.69) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL30494359 0.83 MAPT (0.75) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL28675538 0.83 MAPT (0.75) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL29633257 0.82 MAPT (1.00) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL754259 0.82 MAPT (1.00) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL16296882 0.82 MAPT (0.69) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL16296863 0.82 MAPT (0.69) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL29746447 0.82 MAPT (0.69) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL30991489 0.82 MAPT (0.69) MAPTRAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL29633296 0.82 MAPT (0.69) MAPTRAB9ALMNASMN1; SMN2L3MBTL1

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 2 patents. 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
CN-113666887-A 1, 4-naphthoquinone derivative, and synthesis method and application thereof 江苏海洋大学 2021-11-19 — — CN disclosed
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