SCHEMBL9768880

SCHEMBL9768880

O=C(NO)c1cc(Oc2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ TTR P02766 1/20 0.61
▸ PPOX P50336 1/20 0.61
▸ LMNA P02545 6/20 0.47
▸ MAPT P10636 6/20 0.47
▸ PYGL P06737 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GPR55 Q9Y2T6 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
SCHEMBL10441014 0.88 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441016 0.88 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL38930 0.88 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10675557 0.87 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673393 0.87 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL28965472 0.87 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
Hydrochloric Acid SCHEMBL27554382 0.87 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL1902740 0.87 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL15441532 0.87 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11386973 0.86 TDP1 (0.56) 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 2 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
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