SCHEMBL10789550

SCHEMBL10789550

CCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2N)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ TTR P02766 1/20 0.57
▸ PPOX P50336 1/20 0.57
▸ LMNA P02545 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ ATM Q13315 1/20 0.53
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PYGL P06737 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ CFTR P13569 1/20 0.40

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
SCHEMBL10831780 0.91 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10661152 0.89 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30088466 0.88 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.88 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11107816 0.85 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38860 0.82 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10536730 0.81 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11024062 0.81 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11291826 0.81 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11062686 0.81 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4681622-A 2-NITRO-5-(SUBSTITUTED-PHENOXY) BENZOIC ACIDS RHONE-POULENC AGROCHIMIE (FR) 1987-07-21 — — US disclosed
US-RE32243-E Esters of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-09-09 — — US disclosed
US-4606758-A Substituted phenoxybenzoic acids and derivative thereof as herbicides RHONE-POULENC AGROCHIMIE (FR) 1986-08-19 — — US disclosed
US-RE32216-E Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-29 — — US disclosed
US-RE32215-E Substituted phenoxybenzoic acids compositions of the same and herbicidal use thereof RHONE-POULENC AGROCHIMIE (FR) 1986-07-22 — — US disclosed
US-RE31831-E Substituted phenoxybenzoic acids and esters thereof RHONE-POULENC AGROCHIMIE (FR) 1985-02-12 — — US disclosed
US-4164410-A Esters of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4164409-A Substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4164408-A Salts of substituted phenoxybenzoic acids, compositions of the same and herbicidal use thereof MOBIL OIL CORP. (US) 1979-08-14 — — US disclosed
US-4002662-A HERBICIDES MOBIL OIL CORPORATION (US) 1977-01-11 — — US disclosed
US-3979437-A HERBICIDES MOBIL OIL CORPORATION (US) 1976-09-07 — — US disclosed
US-3941830-A HERBICIDE MOBIL OIL CORPORATION (US) 1976-03-02 — — US disclosed
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