SCHEMBL17469085

SCHEMBL17469085

CC(=O)c1cnn(C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL939974 0.85 POLB (0.44) PKMMEN1KMT2AGAAKDM4E
SCHEMBL5202849 0.84 MAPT (0.41) PKMMEN1KMT2AGAAMAPT
SCHEMBL3060859 0.84 MEN1 (0.39) PKMMEN1KMT2AGAAMAPT
SCHEMBL354031 0.81 GAA (0.43) PKMMEN1KMT2AGAAMAPT
SCHEMBL28783815 0.77 LMNA (0.39) PKMMEN1KMT2AGAAMAPT
SCHEMBL28969335 0.75 MEN1 (0.46) PKMMEN1KMT2AGAAMAPT
SCHEMBL8384735 0.73 PKM (0.39) PKMMEN1KMT2AGAAMAPT
SCHEMBL27670024 0.73 MEN1 (0.34) PKMMEN1KMT2AGAAMAPK1
Benzamide SCHEMBL27827170 0.73 TSHR (0.43) PKMGAAMAPTKDM4ECYP3A4
SCHEMBL16704245 0.73 MEN1 (0.57) PKMMEN1KMT2AGAAMAPT

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed