SCHEMBL29746447

SCHEMBL29746447

Cc1cccc(NC2=CC(=O)c3ccccc3C2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
RAB9A P51151 7/20 0.69
L3MBTL1 Q9Y468 6/20 0.69
MAPK1 P28482 6/20 0.69
LMNA P02545 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
ALDH1A1 P00352 6/20 0.69
NPC1 O15118 4/20 0.69
HTT P42858 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
ADORA2A P29274 1/20 0.58
BLM P54132 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
JAK2 O60674 1/20 0.57
EPHB2 P29323 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 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
SCHEMBL16296882 1.00 MAPT (0.69) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL14441063 0.90 RAB9A (0.54) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL14441064 0.90 RAB9A (0.54) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL29633218 0.83 MAPT (0.77) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL14571425 0.83 MAPT (0.77) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL29633257 0.82 MAPT (1.00) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL754259 0.82 MAPT (1.00) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL30991489 0.82 MAPT (0.69) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL16297243 0.82 MAPT (0.64) MAPTRAB9AL3MBTL1MAPK1LMNA
SCHEMBL16296863 0.82 MAPT (0.69) MAPTRAB9AL3MBTL1MAPK1LMNA

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-114702399-A 2-trifluoroalkyl-1, 4-naphthoquinone compound and synthetic method thereof 信阳师范学院 2022-07-05 CN disclosed