SCHEMBL11279561

SCHEMBL11279561

CS(=O)(=O)NC(=O)c1cc(Oc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 1/20 0.43
▸ FBP1 P09467 1/20 0.42
▸ SCN9A Q15858 7/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ PPOX P50336 1/20 0.37
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL11272095 0.88 TDP1 (0.55) SCN9ATDP1MEN1KMT2AGAA
SCHEMBL31118331 0.82 SCN9A (0.44) FBP1SCN9ATDP1ALDH1A1MEN1
SCHEMBL11272985 0.81 MEN1 (0.53) ALDH3A1TDP1ALDH1A1MEN1KMT2A
SCHEMBL28100328 0.79 SCN9A (0.48) SCN9ATDP1MEN1KMT2ATTR
SCHEMBL29943920 0.79 SCN9A (0.48) SCN9ATDP1MEN1KMT2ATTR
SCHEMBL10672572 0.78 TDP1 (0.53) SCN9ATDP1ALDH1A1MEN1KMT2A
SCHEMBL28366683 0.77 SCN9A (0.46) FBP1SCN9ATDP1MEN1KMT2A
SCHEMBL11367437 0.77 TDP1 (0.57) SCN9ATDP1MEN1KMT2ATTR
SCHEMBL10666985 0.77 MEN1 (0.45) FBP1SCN9ATDP1ALDH1A1MEN1
SCHEMBL10663135 0.77 TDP1 (0.41) ALDH3A1FBP1SCN9ATDP1ALDH1A1

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
EP-0063873-A1 Haloalkoxy-substituted diphenyl ethers; their use as herbicides and in herbicidal compositions and processes of making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-03 — — EP disclosed
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