SCHEMBL28623178

SCHEMBL28623178

O=C(NO)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.55
HDAC3 O15379 4/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC11 Q96DB2 1/20 0.55
HTT P42858 3/20 0.52
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
HDAC1 Q13547 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL13623386 0.79 HTT (0.54) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL2354218 0.79 HTT (0.54) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL11794173 0.77 HDAC6 (0.43) HDAC6HDAC3HDAC8LMNAGAA
SCHEMBL8472464 0.77 HTT (0.52) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL19480334 0.75 HDAC6 (0.41) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL7607496 0.74 HTT (0.56) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL4172084 0.74 HTT (0.50) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL24687425 0.72 HTT (0.67) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL21568089 0.72 HTT (0.56) HDAC6HDAC3HDAC8HDAC11HTT
SCHEMBL3069428 0.70 HTT (0.48) HDAC6HDAC3HDAC8HDAC11HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816922-A Synthesis method of pentafluorophenyl dioxyazolone 石家庄圣泰化工有限公司 2021-12-21 CN claimed
CN-113385305-A Halogenated benzohydroxamic acid collecting agent and application thereof in mineral flotation 广东省科学院资源利用与稀土开发研究所 2021-09-14 CN claimed
CN-113903990-B Application of dioxazolone derivative in battery electrolyte 河北圣泰材料股份有限公司 2024-04-02 CN disclosed
CN-113903990-A Application of dioxyazolone derivative in battery electrolyte 石家庄圣泰化工有限公司 2022-01-07 CN disclosed
CN-113816922-A Synthesis method of pentafluorophenyl dioxyazolone 石家庄圣泰化工有限公司 2021-12-21 CN disclosed
CN-113816922-A Synthesis method of pentafluorophenyl dioxyazolone 石家庄圣泰化工有限公司 2021-12-21 CN disclosed
CN-113801074-A Electrolyte additive, preparation method thereof, electrolyte and secondary battery 恒大新能源技术(深圳)有限公司 2021-12-17 CN disclosed
CN-113385305-A Halogenated benzohydroxamic acid collecting agent and application thereof in mineral flotation 广东省科学院资源利用与稀土开发研究所 2021-09-14 CN disclosed