SCHEMBL2582563

SCHEMBL2582563

COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
BCAT1 P54687 3/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 5/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
BCAT2 O15382 1/20 0.33
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GFER P55789 1/20 0.32
POLB P06746 1/20 0.32
HSPB1 P04792 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL3241978 0.90 MEN1 (0.36) ALDH1A1BCAT1RAB9ANPC1MEN1
SCHEMBL3246073 0.89 ALDH1A1 (0.35) ALDH1A1BCAT1RAB9AMEN1KMT2A
SCHEMBL6640251 0.87 MAPT (0.34) ALDH1A1BCAT1RAB9ANPC1MEN1
SCHEMBL22912587 0.86 ALDH1A1 (0.35) ALDH1A1BCAT1MEN1KMT2AMAPT
SCHEMBL2589464 0.86 BCAT1 (0.37) BCAT1BCAT2HDAC1HDAC8HDAC6
SCHEMBL2594502 0.86 BCAT1 (0.41) BCAT1BCAT2HDAC1HDAC8HDAC6
SCHEMBL6639449 0.85 ALDH1A1 (0.43) ALDH1A1BCAT1RAB9ANPC1MEN1
SCHEMBL3247510 0.84 CYP1A2 (0.34) ALDH1A1BCAT1RAB9AMEN1KMT2A
SCHEMBL6243873 0.83 SMN1; SMN2 (0.36) ALDH1A1BCAT1RAB9ANPC1MEN1
SCHEMBL30839879 0.82 L3MBTL1 (0.45) ALDH1A1BCAT1MEN1KMT2AL3MBTL1

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-2011137088-A1 HERBICIDAL URACILS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-03 WO disclosed