SCHEMBL9768682

SCHEMBL9768682

CCN(CC)C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ TTR P02766 1/20 0.73
▸ PPOX P50336 1/20 0.73
▸ ALDH1A1 P00352 2/20 0.54
▸ FFAR1 O14842 5/20 0.47
▸ SCN9A Q15858 2/20 0.45
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL9768735 0.89 TDP1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11277011 0.88 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11500024 0.88 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11322256 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10995107 0.87 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11124317 0.87 KMT2A (0.77) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11113930 0.86 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10907643 0.86 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11068222 0.86 TDP1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11109595 0.86 MEN1 (0.69) 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 7 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
EP-0027837-B1 SUBSTITUTED DIPHENYL ETHERS HAVING UTILITY AS HERBICIDES ROHM AND HAAS COMPANY (US) 1984-08-08 — — EP disclosed
EP-0019388-B1 PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED PHENOLS AND PHENATES AND THE PREPARATION, FROM THESE PHENOLS AND PHENATES, OF NITRO- AND TRIFLUOROMETHYL-SUBSTITUTED DIPHENYL ETHERS ROHM AND HAAS COMPANY (US) 1983-03-23 — — EP disclosed
US-4262152-A REACTION OF TRIFLUOROMETHYLHALOBENZENE WITH A BASE IN A COSOLVENT SYSTEM TO YIELD A TRIFLUOROMETHYL PHENOLATE ROHM AND HAAS COMPANY (US) 1981-04-14 — — US disclosed
US-4259510-A TREATING A TRIFLUOROMETHYLHALOBENZENE WITH A HYDROXIDE FOLLOWED BY ETHERIFICATION WITH A HALONITROBENZENE ROHM AND HAAS COMPANY 1981-03-31 — — US disclosed
EP-0019388-A1 Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and trifluoromethyl-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1980-11-26 — — EP disclosed
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