SCHEMBL24917504

SCHEMBL24917504

N#[N+]c1cccc(C(F)(F)C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL24917757 0.77 P2RX7 (0.50) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL30528019 0.77 P2RX7 (0.50) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL25306752 0.75 PGK1 (0.40) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL11395905 0.74 TSHR (0.57) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL30527948 0.74 PGK1 (0.39) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL1759639 0.74 PGK1 (0.39) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL25305047 0.73 CTSS (0.41) P2RX7PGK1PGK2
SCHEMBL24917508 0.70 PGK1 (0.36) P2RX7PGK1PGK2TAS2R14KDM4E
SCHEMBL4619117 0.69 SORT1 (0.41) PGK1PGK2KDM4ETDP1
SCHEMBL1773218 0.66 L3MBTL1 (0.52) KDM4E

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
WO-2023286057-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD (IL) 2023-01-19 WO disclosed