SCHEMBL10698300

SCHEMBL10698300

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ TTR P02766 1/20 0.67
▸ PPOX P50336 1/20 0.67
▸ FFAR1 O14842 5/20 0.46
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 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
SCHEMBL10422657 0.93 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10697634 0.91 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10494010 0.90 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL203524 0.89 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL203525 0.89 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2809126 0.89 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10613383 0.87 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775588 0.85 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL29395132 0.84 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772924 0.83 TDP1 (0.65) 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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