SCHEMBL9522855

SCHEMBL9522855

CN1C2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.59
TOP2A P11388 6/20 0.59
TOP2B Q02880 6/20 0.59
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.58
OPRM1 P35372 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRD1 P41143 1/20 0.58
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
PRKD3 O94806 1/20 0.56
ALOX15 P16050 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL9670575 0.93 KCNH2 (0.60) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9522683 0.91 ALDH1A1 (0.71) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9634820 0.91 KCNH2 (0.58) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9666234 0.89 TOP2A (0.61) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9526345 0.89 KCNH2 (0.72) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9053681 0.88 KDM4E (0.50) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9668234 0.88 TOP2A (0.61) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9666037 0.88 ALDH1A1 (0.70) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9522707 0.87 ALDH1A1 (0.61) KCNH2TOP2ATOP2BALDH1A1POLB
SCHEMBL9667783 0.87 TOP2A (0.59) KCNH2TOP2ATOP2BALDH1A1POLB

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-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed
WO-1992012155-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1992-07-23 WO disclosed