SCHEMBL28544623

SCHEMBL28544623

O=C(O)c1cc(Oc2ccc(C(F)(F)F)c(Oc3ccccc3)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ TTR P02766 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ PPOX P50336 1/20 0.62
▸ ALB P02768 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ EPAS1 Q99814 2/20 0.47
▸ HPSE Q9Y251 1/20 0.46
▸ AKR1B1 P15121 2/20 0.41
▸ AKR1C4 P17516 2/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ AKR1C1 Q04828 2/20 0.41
▸ PYGL P06737 1/20 0.40
▸ VEGFA P15692 1/20 0.40
▸ SERPINE1 P05121 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39

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
SCHEMBL27343161 0.84 TDP1 (0.65) TDP1MEN1TTRKMT2APPOX
SCHEMBL28429167 0.80 TDP1 (0.50) TDP1MEN1TTRKMT2APPOX
SCHEMBL14896568 0.80 TDP1 (0.67) TDP1MEN1TTRKMT2APPOX
Acifluorfen SCHEMBL7577847 0.79 TDP1 (0.79) TDP1MEN1TTRKMT2APPOX
Acifluorfen SCHEMBL9738897 0.79 TDP1 (0.79) TDP1MEN1TTRKMT2APPOX
SCHEMBL10671720 0.79 TDP1 (0.61) TDP1MEN1TTRKMT2APPOX
SCHEMBL10961789 0.79 TDP1 (0.72) TDP1MEN1TTRKMT2APPOX
SCHEMBL10669894 0.78 TDP1 (0.78) TDP1MEN1TTRKMT2APPOX
SCHEMBL3889423 0.78 MEN1 (0.55) TDP1MEN1TTRKMT2APPOX
Acifluorfen SCHEMBL8028079 0.77 TDP1 (1.00) TDP1MEN1TTRKMT2APPOX

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-113016623-A Single Nucleotide Polymorphism (SNP) markers for stevia 谱赛科美国股份有限公司 2021-06-25 — — CN disclosed
CN-107205353-B Single Nucleotide Polymorphism (SNP) markers for stevia 谱赛科美国股份有限公司 2021-03-19 — — CN disclosed
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