SCHEMBL9442020

SCHEMBL9442020

O=[C]c1cc(-c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ PPOX P50336 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.42
▸ TXNRD3 Q86VQ6 1/20 0.42
▸ TXNRD2 Q9NNW7 1/20 0.42
▸ FGFR4 P22455 1/20 0.41
▸ EIF4E P06730 1/20 0.41
▸ MAPK1 P28482 4/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ MASP2 O00187 1/20 0.36
▸ F2 P00734 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
SCHEMBL11061094 0.79 CHEK1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL27481992 0.79 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
Water SCHEMBL11042053 0.78 TDP1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28323202 0.78 TDP1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10991997 0.77 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9565880 0.76 MAPT (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6080 0.76 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29446908 0.76 TDP1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9444098 0.74 TDP1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8762851 0.73 ALDH1A1 (0.51) MEN1KMT2ATDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266552-A Biological antigrowth agents for plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-30 — — US disclosed
US-5234895-A Arylpyridone herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 — — US disclosed
US-5232895-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 — — US disclosed
US-5189169-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 — — US disclosed
US-5186733-A Arylphosphonodiamide compounds and herbicidal compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 — — US disclosed
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