SCHEMBL11629263

SCHEMBL11629263

O=C(Nc1ncc(Cl)cc1[N+](=O)[O-])C(F)(F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.37
FGFR4 P22455 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APP P05067 1/20 0.36
CGAS Q8N884 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL11583245 0.87 AHR (0.43) AHRMAPTPOLBMAPK1KMT2A
SCHEMBL11631255 0.85 MAPT (0.43) AHRMAPTPOLBMAPK1KMT2A
SCHEMBL11632247 0.85 AHR (0.41) AHRMAPTPOLBMAPK1KMT2A
SCHEMBL11628237 0.82 AHR (0.40) AHRMAPTPOLBMAPK1KMT2A
SCHEMBL11630823 0.80 PDK1 (0.34) MAPTPOLBMAPK1KMT2AMEN1
SCHEMBL11630612 0.79 MAPK1 (0.34) MAPTMAPK1KMT2AMEN1ALDH1A1
SCHEMBL11874563 0.78 AHR (0.42) AHRMAPTPOLBMAPK1KMT2A
SCHEMBL8734657 0.76 PDK1 (0.38) MAPK1KMT2AMEN1ALDH1A1TDP1
SCHEMBL8736070 0.75 PDK1 (0.37) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL11632679 0.72 DYRK1A (0.43) AHRMAPTPOLBMAPK1KMT2A

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
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-3968116-A HERBICIDE ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed
US-3963734-A HERBICIDES, HERBICIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1976-06-15 US disclosed