SCHEMBL29633276

SCHEMBL29633276

COc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
RAB9A P51151 6/20 0.69
L3MBTL1 Q9Y468 6/20 0.69
MAPK1 P28482 5/20 0.69
NPC1 O15118 4/20 0.69
ALDH1A1 P00352 4/20 0.69
LMNA P02545 4/20 0.69
HTT P42858 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
BLM P54132 4/20 0.66
TDP1 Q9NUW8 2/20 0.66
JAK2 O60674 1/20 0.66
EPHB2 P29323 1/20 0.66
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
NSD2 O96028 3/20 0.61
KDM4E B2RXH2 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
SCHEMBL16296903 1.00 MAPT (0.69) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL29249530 0.84 RAB9A (0.63) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL30991486 0.84 RAB9A (0.63) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL13079879 0.84 MAPT (0.63) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL29633218 0.83 MAPT (0.77) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL14571425 0.83 MAPT (0.77) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL7912631 0.82 MAPT (0.80) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL754259 0.82 MAPT (1.00) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL29633257 0.82 MAPT (1.00) MAPTRAB9AL3MBTL1MAPK1NPC1
SCHEMBL19420527 0.82 MAPT (0.60) MAPTRAB9AL3MBTL1MAPK1NPC1

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-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
CN-109748809-B Method for synthesizing 2-substituted amino-1, 4-naphthoquinone derivative 中国科学院成都有机化学有限公司 2022-05-13 CN disclosed