SCHEMBL9768714

SCHEMBL9768714

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ TTR P02766 1/20 0.77
▸ PPOX P50336 1/20 0.77
▸ LMNA P02545 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ FFAR1 O14842 3/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ PYGL P06737 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 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
SCHEMBL9768750 0.91 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441014 0.91 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441016 0.91 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL10542053 0.90 TDP1 (0.92) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991967 0.90 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL467115 0.89 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768703 0.89 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10996421 0.89 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11298723 0.89 TDP1 (0.79) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10777745 0.89 TDP1 (0.72) 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 5 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-5024691-A Substituted phenoxy benzamide herbicides and methods of use ICI AMERICAS INC. (US) 1991-06-18 — — 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-4632697-A Aryloxyphenoxy benzamide herbicides and methods of use STAUFFER CHEMICAL COMPANY (US) 1986-12-30 — — US disclosed
EP-0027837-B1 SUBSTITUTED DIPHENYL ETHERS HAVING UTILITY AS HERBICIDES ROHM AND HAAS COMPANY (US) 1984-08-08 — — EP disclosed
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