SCHEMBL12836652

SCHEMBL12836652

O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCCC1CCOC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
TOP2A P11388 6/20 0.48
TOP2B Q02880 6/20 0.48
KCNH2 Q12809 5/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL116181 0.91 ALDH1A1 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL143404 0.88 LMNA (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL116806 0.88 LMNA (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL12836934 0.88 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL12836651 0.87 ADRB2 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL115248 0.86 AADAT (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL12836882 0.84 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL145406 0.84 ALDH1A1 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL116030 0.83 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL116101 0.83 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1

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-2011031743-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2011-03-17 WO disclosed