SCHEMBL10658377

SCHEMBL10658377

O=C(O)c1cc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TTR P02766 1/20 0.57
▸ PPOX P50336 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ DTYMK P23919 1/20 0.44
▸ AKR1C3 P42330 3/20 0.40
▸ AKR1C2 P52895 3/20 0.40
▸ AKR1B1 P15121 2/20 0.40
▸ AKR1C4 P17516 2/20 0.40
▸ AKR1C1 Q04828 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ AKR1B10 O60218 1/20 0.37
▸ PYGL P06737 3/20 0.37
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL31118239 0.90 MEN1 (0.55) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10656466 0.84 KMT2A (0.42) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10668736 0.83 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10663135 0.82 TDP1 (0.41) TDP1MEN1TTRPPOXKMT2A
SCHEMBL31118305 0.81 ALDH1A1 (0.37) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10775569 0.81 KMT2A (0.40) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10671720 0.81 TDP1 (0.61) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9768812 0.80 MEN1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11147168 0.80 MEN1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10552727 0.80 TDP1 (0.76) TDP1MEN1TTRPPOXKMT2A

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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