SCHEMBL10700372

SCHEMBL10700372

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ TTR P02766 1/20 0.67
▸ PPOX P50336 1/20 0.67
▸ FFAR1 O14842 5/20 0.43
▸ LMNA P02545 6/20 0.40
▸ MAPT P10636 3/20 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 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL10696902 0.90 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10696879 0.89 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768682 0.84 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10698015 0.84 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6752643 0.84 MEN1 (0.82) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11068222 0.84 TDP1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10700375 0.83 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10995107 0.83 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
Potassium Ion SCHEMBL11126889 0.83 MEN1 (0.80) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11109595 0.82 MEN1 (0.69) 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
Send feedback