SCHEMBL7121568

SCHEMBL7121568

O=C(O)c1cc(=O)c2cc(F)c(O)c(F)c2n1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.41
TOP2B Q02880 4/20 0.41
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PIM1 P11309 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PIM3 Q86V86 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
OGFOD1 Q8N543 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL8096676 0.83 TOP2A (0.47) TOP2ATOP2BALDH1A1PIM1GSK3A
SCHEMBL10817331 0.80 TOP2A (0.47) TOP2ATOP2BALDH1A1PIM1GSK3A
SCHEMBL3136241 0.78 TOP2A (0.47) TOP2ATOP2B
SCHEMBL4305779 0.75 TOP2A (0.42) TOP2ATOP2BALDH1A1MEN1KMT2A
SCHEMBL7122780 0.74 ALDH1A1 (0.43) TOP2ATOP2BALDH1A1KMT2AL3MBTL1
SCHEMBL8912501 0.74 EGLN1 (0.34) TOP2ATOP2BMEN1KMT2AEGLN1
SCHEMBL11004379 0.74 KDM4E (0.44) TOP2ATOP2BALDH1A1PIM1GSK3A
SCHEMBL7123595 0.73 ALDH1A1 (0.41) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL4300362 0.73 TOP2A (0.39) TOP2ATOP2B
SCHEMBL3129267 0.73 TOP2A (0.39) TOP2ATOP2B

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-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed