SCHEMBL8601303

SCHEMBL8601303

O=C(O)c1cc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.83
▸ MEN1 O00255 2/20 0.83
▸ KMT2A Q03164 2/20 0.83
▸ TTR P02766 1/20 0.83
▸ PPOX P50336 1/20 0.83
▸ PYGL P06737 1/20 0.48
▸ AKR1B1 P15121 2/20 0.47
▸ AKR1C4 P17516 2/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ AKR1C1 Q04828 2/20 0.47
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ EIF4E P06730 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
Acifluorfen SCHEMBL29448829 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL29445767 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL38929 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL8028079 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL3228873 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL1830812 0.90 TDP1 (0.98) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL10556004 0.90 TDP1 (0.98) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL3690938 0.90 TDP1 (0.98) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786867 0.87 TDP1 (0.81) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL10542053 0.87 TDP1 (0.92) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405805-A ACIFLUORFEN, XYLENE EXTRACTION RHONE-POULENC, INC. (US) 1983-09-20 — — US claimed
EP-0706993-B1 Method of purifying acifluorfen BASF CORP (US) 1998-03-04 — — EP disclosed
EP-0706993-A1 Method of purifying acifluorfen BASF Corporation (US) 1996-04-17 — — EP disclosed
US-5446197-A Dissolving in 1,2-dichlorobenzene solvent, recrystallization BASF CORPORATION (US) 1995-08-29 — — US disclosed
US-4874846-A Process for the preparation of aryloxybenzoic acids containing a sulfonamide group RHONE-POULENC AGROCHIMIE S.A. (FR) 1989-10-17 — — US disclosed
US-4780128-A Herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-25 — — US disclosed
US-4738711-A POST- AND PREEMERGENCE HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-04-19 — — US disclosed
US-4465508-A Diphenyl ether herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-14 — — US disclosed
EP-0023392-B1 DIPHENYL ETHER COMPOUNDS, AND HERBICIDAL COMPOSITIONS AND PROCESSES UTILISING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-06-06 — — EP disclosed
US-4332611-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-01 — — US disclosed
EP-0023392-A2 Diphenyl ether compounds, and herbicidal compositions and processes utilising them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-04 — — EP disclosed
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