SCHEMBL27481992

SCHEMBL27481992

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ TTR P02766 1/20 0.64
▸ PPOX P50336 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ EIF4E P06730 10/20 0.56
▸ AKR1B1 P15121 2/20 0.50
▸ AKR1C4 P17516 2/20 0.50
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ AKR1C1 Q04828 2/20 0.50
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ FABP4 P15090 1/20 0.45
▸ DTYMK P23919 1/20 0.44
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ ALDH1A1 P00352 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
Water SCHEMBL11042053 0.89 TDP1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28323202 0.89 TDP1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9444098 0.87 TDP1 (0.49) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9354317 0.83 EIF4E (0.54) TDP1EIF4EMAPTFABP4DTYMK
SCHEMBL9354304 0.83 EIF4E (0.54) TDP1EIF4EMAPTFABP4DTYMK
SCHEMBL16031334 0.83 TTR (0.64) TDP1MEN1TTRPPOXKMT2A
Ether SCHEMBL11042007 0.82 MEN1 (0.48) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9783673 0.79 KMT2A (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9442020 0.79 MEN1 (0.42) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11061094 0.78 CHEK1 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100432229-C Manipulation of protoporphyrinogen oxidase enzyme activity in eukaryotes CIBA GEIGY AG (CH) 2008-11-12 — — CN disclosed
CN-1263856-C Operation of enzymatic vitality of protoporphyrin primary oxidase in eukaryote NOVARTIS AG (CH) 2006-07-12 — — CN disclosed
CN-1193096-C Operation for onzyme activity of protoporphyrin prooxidase in eukaryotic organism SINGENTA PARTICIPATION AG (CH) 2005-03-16 — — CN disclosed
CN-1382377-A Operation for onzyme activity of protoporphyrin prooxidase in eukaryotic organism SINGENTA PARTICIPATION AG (CH) 2002-12-04 — — CN disclosed
CN-1309184-A Operation of enzymatic vitality of protoporphyrin primary oxidase in eukaryote NOVARTIS AG (CH) 2001-08-22 — — CN disclosed
CN-1150820-A Manipulation of protoporphyrinogen oxidase enzyme activity in eukaryotes CIBA GEIGY AG (CH) 1997-05-28 — — CN disclosed
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