SCHEMBL10700375

SCHEMBL10700375

CC(=S)CONC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ LMNA P02545 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ FFAR1 O14842 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PYGL P06737 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 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
SCHEMBL10696886 0.90 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10696906 0.90 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991967 0.86 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768714 0.84 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10698027 0.84 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768703 0.83 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768750 0.83 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10700372 0.83 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441016 0.83 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441014 0.83 TDP1 (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
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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