SCHEMBL10657663

SCHEMBL10657663

COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2I)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ TTR P02766 1/20 0.60
▸ PPOX P50336 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ PYGL P06737 1/20 0.48
▸ LMNA P02545 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ GPR55 Q9Y2T6 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
SCHEMBL10791384 0.90 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10678017 0.89 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10675557 0.88 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.87 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10661152 0.87 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.87 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.87 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10784991 0.85 TDP1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10773049 0.85 TDP1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11023426 0.85 TDP1 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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