SCHEMBL28178463

SCHEMBL28178463

CC(=O)Nc1ccc2c(c1)-c1ccccc1C2

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.88
MAOA P21397 2/20 0.88
ADRA2A P08913 1/20 0.88
SLC6A2 P23975 1/20 0.88
HTR2C P28335 1/20 0.88
SLC6A4 P31645 1/20 0.88
HTR2B P41595 1/20 0.88
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.68
CYP3A4 P08684 2/20 0.63
HSD17B10 Q99714 1/20 0.63
PPARG P37231 1/20 0.62
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 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
2-Acetylaminofluorene SCHEMBL29829339 0.94 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL29364009 0.94 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL21114365 0.94 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL75140 0.94 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL6903872 0.92 CYP1A2 (0.97) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL5663545 0.88 CYP1A2 (0.89) CYP1A2MAOAADRA2ASLC6A2HTR2C
SCHEMBL2962505 0.84 MAOA (0.84) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL20771371 0.84 CYP1A2 (0.82) CYP1A2MAOAADRA2ASLC6A2HTR2C
SCHEMBL26397656 0.83 RAB9A (0.75) CYP1A2MAOAADRA2ASLC6A2HTR2C
SCHEMBL28448285 0.81 NPC1 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C

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-107286926-B Hybrid fluorescent dye based on coumarin and fluorescein, and preparation method and application thereof 中国科学院理化技术研究所 2019-03-26 CN disclosed
CN-107286926-A Hybrid fluorescent dye based on coumarin and fluorescein, and preparation method and application thereof 中国科学院理化技术研究所 2017-10-24 CN disclosed