SCHEMBL10678017

SCHEMBL10678017

COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2C)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ PYGL P06737 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ CFTR P13569 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44

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 0.92 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10675557 0.90 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.89 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.89 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10657663 0.89 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10661152 0.89 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.89 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673512 0.89 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10784991 0.87 TDP1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11023426 0.87 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 — — US disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 — — US disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 — — EP disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 — — EP disclosed
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