SCHEMBL1980871

SCHEMBL1980871

C[C@]1(c2cc(NC(=O)/C=C/c3ccco3)ccc2F)OC(N)=NCC1(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.53
MAPT P10636 8/20 0.53
TP53 P04637 3/20 0.53
RAB9A P51151 12/20 0.48
NPC1 O15118 9/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
TP53BP1 Q12888 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL1979235 0.84 RAB9A (0.53) POLBMAPTTP53RAB9ANPC1
SCHEMBL1973912 0.81 BACE1 (0.61) POLBMAPTTP53
SCHEMBL1973917 0.81 BACE1 (0.61) POLBMAPTTP53
SCHEMBL1973914 0.81 BACE1 (0.61) POLBMAPTTP53
SCHEMBL1979443 0.80 BACE1 (0.51)
SCHEMBL1982738 0.76 BACE1 (0.61)
SCHEMBL1979229 0.76 BACE1 (0.66)
SCHEMBL1979981 0.74 BACE1 (0.64)
SCHEMBL1979162 0.73 BACE1 (0.59)
SCHEMBL1981723 0.73 BACE1 (0.58)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed