SCHEMBL8579772

SCHEMBL8579772

Nn1c(C(F)(F)F)cc(=O)n(-c2ccc(O)cc2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.33
ESR2 Q92731 7/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PTGER1 P34995 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 2/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 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
SCHEMBL7846203 0.82 GSK3A (0.37) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL7556857 0.81 GSK3A (0.41) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL7037742 0.79 AR (0.38) AR
SCHEMBL6627585 0.72 CMA1 (0.40)
SCHEMBL27480543 0.71 NOTUM (0.37) NOTUMAR
SCHEMBL8106093 0.71 NOTUM (0.30) NOTUM
SCHEMBL27457048 0.70 ALDH1A1 (0.34) ALDH1A1MAPTHTTNOTUMNPSR1
SCHEMBL8700806 0.70 GSK3A (0.37) ESR2ALDH1A1MEN1KMT2AGAA
SCHEMBL7019278 0.70 BCAT2 (0.30)
SCHEMBL27480544 0.69

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-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed