SCHEMBL7889653

SCHEMBL7889653

CCOC(=O)COc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.41
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 4/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRNP P04156 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
TNF P01375 2/20 0.32
CYP1A2 P05177 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
SCHEMBL7882010 0.90 PDK2 (0.33) PPOXTSHRMAPTALDH1A1HTT
SCHEMBL7881686 0.88 BCAT1 (0.32) PPOX
SCHEMBL7889818 0.85 PTGS2 (0.32) MAPTGAAPKMTNF
SCHEMBL7889837 0.84 BCAT1 (0.33) PPOX
SCHEMBL7888858 0.83 PPOX (0.37) PPOXMAPTL3MBTL1KMT2AMEN1
SCHEMBL10576727 0.83 PTPN1 (0.35) KMT2AMEN1GAAKDM4E
SCHEMBL13843249 0.82 PPOX (0.46) PPOXTSHRMAPTL3MBTL1KMT2A
SCHEMBL7887321 0.82 KMT2A (0.40) TSHRMAPTKMT2ANPSR1GAA
SCHEMBL7889816 0.82 ALDH1A1 (0.39) PPOXTSHRMAPTL3MBTL1ALDH1A1
SCHEMBL7887149 0.82 BCAT1 (0.31)

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-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed