SCHEMBL3400403

SCHEMBL3400403

CCOC(=O)c1cn(C2CC2)c2c(CCCC3CCCN3)c(F)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
STAT3 P40763 1/20 0.42
TOP2A P11388 5/20 0.40
TOP2B Q02880 5/20 0.40
KCNH2 Q12809 3/20 0.40
POLB P06746 1/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSK3B P49841 1/20 0.39

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
SCHEMBL114477 1.00 ADRB2 (0.53) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL115948 0.89 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL115773 0.87 ADRB2 (0.52) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL114557 0.87 ADRB2 (0.52) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12836926 0.84 ADRB2 (0.49) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL114727 0.82 ADRB2 (0.61) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL145483 0.82 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL178577 0.82 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL142928 0.82 ADRB2 (0.50) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9283475 0.82 ADRB2 (0.56) ADRB2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed