SCHEMBL8762042

SCHEMBL8762042

O=C(O)c1cc(Oc2ccc(C(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ TTR P02766 2/20 0.69
▸ PPOX P50336 1/20 0.69
▸ FFAR1 O14842 1/20 0.41
▸ DTYMK P23919 1/20 0.41
▸ HPSE Q9Y251 1/20 0.41
▸ PDE7A Q13946 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARG Q86W56 1/20 0.38
▸ PYGL P06737 2/20 0.38
▸ PYGM P11217 1/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38

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
SCHEMBL8734749 0.91 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10685122 0.88 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11282021 0.87 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10786312 0.85 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2730973 0.84 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11004062 0.84 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10784186 0.83 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11275207 0.83 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8621753 0.82 TDP1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL14035053 0.82 TDP1 (0.55) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008138740-A1 A METHOD FOR CONTROLLING AQUATIC WEEDS USING ACIFLUORFEN BASF SE (DE) 2008-11-20 — — WO disclosed
EP-0238240-B2 Dry reactive processing UNIROYAL CHEM CO INC (US) 1997-06-18 — — EP disclosed
US-5070197-A WATER-SOLUBLE PESTICIDES; ONE STEP; CONTINUOUS PROCESSING UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-12-03 — — US disclosed
EP-0238240-A2 Dry reactive processing UNIROYAL CHEMICAL COMPANY, Inc. (US) 1987-09-23 — — EP disclosed
Send feedback