SCHEMBL11386973

SCHEMBL11386973

CONC(=O)c1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-].O=C(NO)c1cc(Oc2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ LMNA P02545 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PYGL P06737 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SCN8A Q9UQD0 2/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.37

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
SCHEMBL10802363 0.88 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768815 0.88 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768880 0.86 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441016 0.83 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441014 0.83 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768748 0.79 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10675557 0.79 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10802772 0.79 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673745 0.78 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11296069 0.78 TDP1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027837-A1 Substituted diphenyl ethers having utility as herbicides ROHM AND HAAS COMPANY (US) 1981-05-06 — — EP disclosed
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