SCHEMBL10696902

SCHEMBL10696902

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ TTR P02766 1/20 0.73
▸ PPOX P50336 1/20 0.73
▸ FFAR1 O14842 5/20 0.50
▸ LMNA P02545 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ PYGL P06737 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39

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
SCHEMBL10696879 0.90 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10700372 0.90 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11068222 0.90 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768874 0.87 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10907643 0.87 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10698015 0.86 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL3228873 0.85 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL29448829 0.85 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL8028079 0.85 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL29445767 0.85 TDP1 (1.00) 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-0273432-A2 2-Nitro-5-(substituted phenoxy) benzohydroximate derivatives and their use as herbicide MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-07-06 — — EP disclosed
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