SCHEMBL8621753

SCHEMBL8621753

O=C(O)c1cc(Oc2c(F)cc(C(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ PPOX P50336 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ DTYMK P23919 1/20 0.40
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ PYGL P06737 3/20 0.35
▸ PYGM P11217 3/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL10785958 0.86 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9751309 0.83 TDP1 (0.70) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8762042 0.82 MEN1 (0.69) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10671694 0.80 TDP1 (0.59) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10552727 0.77 TDP1 (0.76) TDP1MEN1TTRPPOXKMT2A
SCHEMBL31118239 0.77 MEN1 (0.55) TDP1MEN1TTRPPOXKMT2A
Hydrochloric Acid SCHEMBL10553440 0.76 MEN1 (0.74) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10790814 0.76 TDP1 (0.49) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8734749 0.76 MEN1 (0.67) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10668736 0.76 TDP1 (0.64) 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-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
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