SCHEMBL9840347

SCHEMBL9840347

O=C(Cl)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
TTR P02766 1/20 0.62
PPOX P50336 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
FFAR1 O14842 5/20 0.57
MRGPRX4 Q96LA9 5/20 0.51
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 4/20 0.46
STK39 Q9UEW8 1/20 0.45
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL6290662 0.89 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11056345 0.88 MEN1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9796491 0.88 MEN1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10848998 0.88 MEN1 (0.50) MEN1TTRPPOXKMT2ATDP1
SCHEMBL30749509 0.88 MEN1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL29448825 0.86 TDP1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11854430 0.86 TDP1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11056341 0.85 MEN1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8378275 0.85 MEN1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11060534 0.85 MEN1 (0.55) MEN1TTRPPOXKMT2ATDP1

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
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
US-5072022-A Enantiomers or racemates; preferably postemergent application BUDAPEST VEGYIMUVEK (HU) 1991-12-10 US disclosed
US-4596883-A Herbicidally active substituted diphenyl ethers PPG INDUSTRIES, INC. (US) 1986-06-24 US disclosed
US-4427441-A HEABICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-01-24 US disclosed
US-4334914-A PRE-AND POSTEMERGENT APPLICATION NIHON NOHYAKU CO., LTD. (JP) 1982-06-15 US disclosed
EP-0034457-A1 Benzoate derivative, method of preparing the same and use thereof NIHON NOHYAKU CO., LTD. (JP) 1981-08-26 EP disclosed
US-3957852-A HERBICIDES ISHIHARA SANGYO KAISHA LTD. (JA) 1976-05-18 US disclosed