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Bromoxynil

Bromoxynil

SCHEMBL18489656

Cc1nn(C)c(O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.N#Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.39

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 4/20 0.38
▸ NR1I2 O75469 3/20 0.38
▸ ELANE P08246 10/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL119221 0.87 CACNA1B (0.41) CACNA1BNR1I2NR3C1MCL1
SCHEMBL5080803 0.86 CACNA1B (0.41) CACNA1BNR1I2NR3C1MCL1
SCHEMBL5077281 0.86 CACNA1B (0.41) CACNA1BNR1I2NR3C1MCL1
SCHEMBL19391755 0.76 CACNA1B (0.38) CACNA1BNR1I2NR3C1DDR1MCL1
SCHEMBL1965010 0.75 CACNA1B (0.38) CACNA1BNR1I2DDR1
SCHEMBL22443243 0.75 CACNA1B (0.39) CACNA1BNR1I2MCL1
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927051 0.75 KDM4E (0.40) CACNA1BNR1I2MEN1KMT2AMCL1
Glyphosate SCHEMBL20723895 0.74 PTGDR2 (0.33) CACNA1BNR1I2NR3C1MCL1
SCHEMBL677603 0.74 SPR (0.38) MEN1KMT2APOLB
SCHEMBL27934056 0.74 AR (0.36) POLBNR3C1

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
US-20170042155-A1 USE OF 3-ISOXAZOLIDINONES COMPOUNDS AS SELECTIVE HERBICIDES FMC CORPORATION 2017-02-16 — — US disclosed