SCHEMBL10697634

SCHEMBL10697634

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ TTR P02766 1/20 0.61
▸ PPOX P50336 1/20 0.61
▸ FFAR1 O14842 2/20 0.39
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 5/20 0.38
▸ POLB P06746 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36

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 0.91 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10698300 0.91 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10494010 0.86 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10613383 0.85 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775588 0.85 TDP1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772108 0.84 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29395132 0.84 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10772126 0.83 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10777786 0.83 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10700375 0.83 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX

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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