SCHEMBL8324774

SCHEMBL8324774

O=C(O)Oc1cn(C2CC2)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.47
TOP2B Q02880 7/20 0.47
KCNH2 Q12809 5/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
OPRM1 P35372 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3B P49841 1/20 0.38
ADRB2 P07550 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6213861 0.89 TOP2A (0.52) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9232914 0.86 TOP2A (0.34) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8138663 0.86 TOP2A (0.34) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10585828 0.86 TOP2A (0.52) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL6212483 0.86 TOP2A (0.49) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL1972628 0.86 ALDH1A1 (0.49) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8324772 0.84 TOP2A (0.64) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL6212667 0.84 KDM4E (0.51) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9043767 0.84 TOP2A (0.45) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10807064 0.84 TOP2A (0.51) TOP2ATOP2BKCNH2ALDH1A1POLB

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-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed