SCHEMBL28296197

SCHEMBL28296197

Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.O=[C]O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.90
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 4/20 0.66
HPGD P15428 2/20 0.66
HTT P42858 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
CYP2C19 P33261 1/20 0.66
RECQL P46063 1/20 0.66
BLM P54132 1/20 0.66
SMAD3 P84022 1/20 0.66
PRMT1 Q99873 1/20 0.66
ACE2 Q9BYF1 1/20 0.66
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
BRCA1 P38398 1/20 0.47
LMNA P02545 3/20 0.46

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
SCHEMBL220211 0.95 FTO (1.00) FTOMEN1KMT2AMAPTHPGD
SCHEMBL29413057 0.95 FTO (1.00) FTOMEN1KMT2AMAPTHPGD
SCHEMBL27920238 0.94 FTO (0.97) FTOMEN1KMT2AMAPTHPGD
SCHEMBL10900216 0.91 FTO (0.92) FTOMEN1KMT2AMAPTHPGD
Isothiocyanate SCHEMBL29291094 0.90 FTO (0.86) FTOMEN1KMT2AMAPTHPGD
SCHEMBL10359910 0.90 FTO (0.90) FTOMEN1KMT2AMAPTHPGD
SCHEMBL10898532 0.90 FTO (0.90) FTOMEN1KMT2AMAPTHPGD
SCHEMBL15496804 0.88 FTO (0.86) FTOMEN1KMT2AMAPTHPGD
SCHEMBL12203251 0.86 FTO (0.85) FTOMEN1KMT2AMAPTHPGD
SCHEMBL216815 0.86 FTO (0.82) FTOMEN1KMT2AMAPTHPGD

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-109913202-A A kind of preparation method and application of fluorescence nano carbon particle 中国烟草总公司郑州烟草研究院 2019-06-21 CN claimed