SCHEMBL11113824

SCHEMBL11113824

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ TDP1 Q9NUW8 3/20 0.70
▸ TTR P02766 1/20 0.70
▸ PPOX P50336 1/20 0.70
▸ MAPT P10636 7/20 0.51
▸ HTT P42858 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ FFAR1 O14842 2/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ PYGL P06737 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL11071008 0.91 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10775940 0.91 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768703 0.89 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10993354 0.88 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11366178 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11366180 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11114024 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10996914 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11264484 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768715 0.87 MEN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
EP-0066106-A1 New phenoxybenzoates, process for preparing these compounds, compositions containing them and method of use GAF CORPORATION (US) 1982-12-08 — — EP disclosed
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