SCHEMBL11111737

SCHEMBL11111737

N#Cc1cc(C(F)(F)F)c(Cl)cc1Oc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ PLA2G7 Q13093 9/20 0.47
▸ AR P10275 6/20 0.46
▸ MERTK Q12866 1/20 0.43
▸ TAS2R14 Q9NYV8 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
SCHEMBL11109336 0.88 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10961789 0.87 TDP1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10669017 0.82 TDP1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL14896568 0.82 TDP1 (0.67) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11481989 0.80 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11810716 0.80 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL27343161 0.78 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
Acifluorfen SCHEMBL8028079 0.77 TDP1 (1.00) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8601303 0.77 TDP1 (0.83) TDP1MEN1TTRPPOXKMT2A
Acifluorfen SCHEMBL29448829 0.77 TDP1 (1.00) TDP1MEN1TTRPPOXKMT2A

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
US-4435588-A 2'-CHLORO-4'-TRIFLUOROMETHYL-PHENOXY-3-BENZOATE DERIVATIVES GAF CORPORATION (US) 1984-03-06 — — US disclosed
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