SCHEMBL10688685

SCHEMBL10688685

COC(=O)c1cc(Oc2ccc(C(F)(F)C(F)(F)F)cc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.57
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ TTR P02766 1/20 0.53
▸ PPOX P50336 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ PYGL P06737 2/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ESRRA P11474 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL10688162 0.88 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10789188 0.85 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL13107176 0.85 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10791384 0.84 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11922554 0.84 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10678017 0.83 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11276412 0.83 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10675557 0.82 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11023426 0.81 TDP1 (0.58) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.81 MEN1 (0.78) 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
US-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 — — US disclosed
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