SCHEMBL29249527

SCHEMBL29249527

O=C1C=C(Nc2ccc(Br)cc2)C(=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.75
▸ RAB9A P51151 4/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ L3MBTL1 Q9Y468 4/20 0.75
▸ MAPK1 P28482 3/20 0.75
▸ NPC1 O15118 3/20 0.75
▸ LMNA P02545 3/20 0.75
▸ HTT P42858 3/20 0.75
▸ ALDH1A1 P00352 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
SCHEMBL30991485 1.00 MAPT (0.75) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL7912631 0.86 MAPT (0.80) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL29633257 0.86 MAPT (1.00) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL754259 0.86 MAPT (1.00) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL28408126 0.84 MAPT (0.96) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL16297260 0.83 MAPT (0.75) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL16297244 0.83 CASP3 (0.77) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL29633237 0.83 RAB9A (1.00) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL30991484 0.83 MAPT (0.75) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL14571425 0.83 MAPT (0.77) MAPTRAB9ASMN1; SMN2L3MBTL1MAPK1

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-118271193-A Method for promoting catalytic synthesis of 2-amino-1, 4-naphthoquinone compounds by using nicotinic acid as ligand and using dichloro-titanocene 宁夏师范学院 2024-07-02 — — CN disclosed
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