SCHEMBL9768812

SCHEMBL9768812

O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
TTR P02766 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
PPOX P50336 1/20 0.72
AKR1B1 P15121 2/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
RAB9A P51151 1/20 0.48
DTYMK P23919 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
PYGL P06737 1/20 0.46
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FBP1 P09467 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL11147168 1.00 MEN1 (0.72) MEN1KMT2ATTRTDP1PPOX
SCHEMBL6567283 0.88 MEN1 (0.68) MEN1KMT2ATTRTDP1PPOX
SCHEMBL11126332 0.88 TDP1 (0.58) MEN1KMT2ATTRTDP1PPOX
SCHEMBL11124081 0.88 TDP1 (0.58) MEN1KMT2ATTRTDP1PPOX
SCHEMBL10786867 0.87 TDP1 (0.81) MEN1KMT2ATTRTDP1PPOX
SCHEMBL11023426 0.86 TDP1 (0.58) MEN1KMT2ATTRTDP1PPOX
SCHEMBL10673512 0.85 TDP1 (0.78) MEN1KMT2ATTRTDP1PPOX
SCHEMBL10669894 0.85 TDP1 (0.78) MEN1KMT2ATTRTDP1PPOX
SCHEMBL38930 0.85 TDP1 (0.78) MEN1KMT2ATTRTDP1PPOX
SCHEMBL10668736 0.85 TDP1 (0.64) MEN1KMT2ATTRTDP1PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073188-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1991-12-17 US disclosed
US-4937381-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitro-diphenyl ethers ROHM AND HAAS COMPANY (US) 1990-06-26 US disclosed
US-4626275-A Certain 5-(pyridyl-2'-oxy)-2-nitrobenzoic acid ester derivatives herbicidal compositions containing same and their herbicidal use CIBA-GEIGY CORPORATION (US) 1986-12-02 US disclosed
US-4618359-A 3-TETRAHYDROFURYL 2-NITRO-5(2-CHLORO-4-TRIFLOROMETHYLPHENOXY)BENZOATE SANDOZ LTD. (CH) 1986-10-21 US disclosed
US-4427441-A HEABICIDES VELSICOL CHEMICAL CORPORATION (US) 1984-01-24 US disclosed
US-4420328-A Derivatives of 5-(pyridyl-2-oxy)-2-nitrobenzoic acid, and herbicidal compositions containing them CIBA-GEIGY CORPORATION (US) 1983-12-13 US disclosed
US-4395570-A CONDENSATION OF 4-TRIFLUOROMETHYLPHENOL WITH 1-HAL-4-SUBSTITUTED-4-NITROBENZENE, THEN HALOGENATION ROHM AND HAAS COMPANY (US) 1983-07-26 US disclosed
US-4326880-A HERBICIDE CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed
US-4209318-A Herbicidal esters of 4-trifluoromethyl-3-carboxamido-4-nitro diphenyl ethers ROHM AND HAAS COMPANY (US) 1980-06-24 US disclosed