SCHEMBL23356017

SCHEMBL23356017

F[B-](F)(F)F.N#[N+]c1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.44
HRH3 Q9Y5N1 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ABAT P80404 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
CYP2A6 P11509 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL111287 0.91 HRH3 (0.50) LOXL2HRH3TAAR1ABATCA1
Hydrochloric Acid SCHEMBL2502782 0.89 HRH3 (0.48) LOXL2HRH3TAAR1ABATCA1
SCHEMBL27641801 0.87 LOXL2 (0.44) LOXL2HRH3TAAR1ABATCA1
SCHEMBL4220076 0.83 TAAR1 (0.48) LOXL2TAAR1CYP2A6
SCHEMBL4220077 0.83 TAAR1 (0.48) LOXL2TAAR1CYP2A6
SCHEMBL2232788 0.83 TAAR1 (0.48) LOXL2TAAR1CYP2A6
SCHEMBL6870559 0.82 ALDH1A1 (0.38)
SCHEMBL5370217 0.81
SCHEMBL5380526 0.81
SCHEMBL28194726 0.80 PNMT (0.42) LOXL2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820629-A1 PROCESS FOR FORMING A POLYMERIC ORGANIC FILM AT THE SURFACE OF A METAL SUBSTRATE USING A GEL Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-05-19 EP claimed
CN-108069868-A A kind of method that organic amide class compound is prepared with aryldiazonium tetrafluoroborate and nitrile 湖南理工学院 2018-05-25 CN claimed
CN-107935882-A A kind of method that highly-solid selectively prepares trans fragrant tertiary amine azo compound 湖南理工学院 2018-04-20 CN claimed
CN-109293491-A A kind of method that aryl diazonium salts take off acyl group in diazonium 中南大学 2019-02-01 CN disclosed
CN-108069868-A A kind of method that organic amide class compound is prepared with aryldiazonium tetrafluoroborate and nitrile 湖南理工学院 2018-05-25 CN disclosed
CN-107935882-A A kind of method that highly-solid selectively prepares trans fragrant tertiary amine azo compound 湖南理工学院 2018-04-20 CN disclosed
CN-107602438-A A kind of arylazo tryptamine derivatives and preparation method thereof 福州大学 2018-01-19 CN disclosed