SCHEMBL14209463

SCHEMBL14209463

NC(=O)c1cn(C2CC2)c2c(O)c(F)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.55
TOP2B Q02880 7/20 0.55
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 5/20 0.45
ADRB2 P07550 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30320686 0.89 TOP2A (0.68) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL584841 0.89 TOP2A (0.68) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL14208183 0.83 KCNH2 (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL115991 0.82 ADRB2 (0.62) TOP2ATOP2BALDH1A1KMT2AKCNH2
SCHEMBL5777435 0.79 MEN1 (0.55) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10543241 0.79 TOP2A (0.56) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29463823 0.78 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500719 0.78 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511115 0.77 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10510815 0.77 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1

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-2008059521-A2 NOVEL PROCESS FOR THE PREPARATION OF MOXIFLOXACIN HYDROCHLORIDE AND A NOVEL POLYMORPH OF MOXIFLOXACIN MSN LABORATORIES LIMITED (IN) 2008-05-22 WO disclosed