SCHEMBL11475717

SCHEMBL11475717

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ TTR P02766 1/20 0.69
▸ PPOX P50336 1/20 0.69
▸ FFAR1 O14842 2/20 0.45
▸ LMNA P02545 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ POLB P06746 2/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PYGL P06737 1/20 0.42

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
SCHEMBL11113819 0.91 TDP1 (0.69) TDP1KMT2AMEN1TTRPPOX
SCHEMBL25396918 0.88 TDP1 (0.70) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11482745 0.88 TDP1 (0.70) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9768703 0.88 TDP1 (0.73) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10775940 0.87 MEN1 (0.71) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10993354 0.87 MEN1 (0.74) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11071008 0.87 MEN1 (0.71) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10991967 0.86 TDP1 (0.77) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10994712 0.86 TDP1 (0.70) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11113824 0.86 MEN1 (0.70) TDP1KMT2AMEN1TTRPPOX

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
US-4209318-A Herbicidal esters of 4-trifluoromethyl-3-carboxamido-4-nitro diphenyl ethers ROHM AND HAAS COMPANY (US) 1980-06-24 — — US disclosed
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