SCHEMBL14896568

SCHEMBL14896568

O=C(O)c1cc(Oc2ccc(C(F)(F)F)c(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ TTR P02766 1/20 0.67
▸ PPOX P50336 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ DTYMK P23919 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ AKR1B1 P15121 2/20 0.40
▸ AKR1C4 P17516 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ AKR1C1 Q04828 2/20 0.40
▸ EPAS1 Q99814 2/20 0.40
▸ HDAC3 O15379 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ ARAF P10398 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
SCHEMBL10961789 0.87 TDP1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10671720 0.85 TDP1 (0.61) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28100328 0.82 SCN9A (0.48) TDP1MEN1TTRPPOXKMT2A
SCHEMBL29943920 0.82 SCN9A (0.48) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11147168 0.82 MEN1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9768812 0.82 MEN1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10552727 0.82 TDP1 (0.76) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11111737 0.82 TDP1 (0.62) TDP1MEN1TTRPPOXKMT2A
SCHEMBL27343161 0.81 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
Hydrochloric Acid SCHEMBL10553440 0.81 MEN1 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323481-B1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL CHEMICALS INT BV (NL) 2018-11-28 — — EP disclosed
JP-S6475405-A HERBICIDE FOR NON-CROP LAND, ORCHARD AND MULBERRY FIELD HOKKO CHEM IND CO 1989-03-22 — — JP disclosed
JP-S06475405-A — — 0001-01-01 — — JP disclosed
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