SCHEMBL9444098

SCHEMBL9444098

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ PPOX P50336 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ EIF4E P06730 5/20 0.47
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ HPD P32754 3/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 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
SCHEMBL27481992 0.87 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28323202 0.83 TDP1 (0.51) TDP1MEN1TTRPPOXKMT2A
Water SCHEMBL11042053 0.83 TDP1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9555504 0.81 TDP1 (0.77) TDP1MEN1TTRPPOXKMT2A
Ether SCHEMBL11042007 0.77 MEN1 (0.48) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9783673 0.74 KMT2A (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9442020 0.74 MEN1 (0.42) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11061094 0.73 CHEK1 (0.48) TDP1MEN1TTRPPOXKMT2A
Water SCHEMBL9575739 0.73 MEN1 (0.44) TDP1MEN1TTRPPOXKMT2A
Ether SCHEMBL11350608 0.73 MEN1 (0.42) 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-5205852-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-27 — — US disclosed
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