SCHEMBL9049573

SCHEMBL9049573

CCOC(=O)C1CC=CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
ADRB2 P07550 1/20 0.39
TOP2A P11388 5/20 0.37
TOP2B Q02880 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
OPRM1 P35372 2/20 0.37
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL8091148 0.91 KCNH2 (0.49) KCNH2ADRB2TOP2ATOP2BALDH1A1
SCHEMBL9048740 0.88 ADRB2 (0.40) KCNH2ADRB2TOP2ATOP2BALDH1A1
SCHEMBL9047130 0.86 ADRB2 (0.39) KCNH2ADRB2TOP2ATOP2BALDH1A1
SCHEMBL9044970 0.86 KCNH2 (0.40) KCNH2ADRB2TOP2ATOP2BALDH1A1
SCHEMBL9045603 0.86 ALDH1A1 (0.42) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9044765 0.85 KCNH2 (0.45) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9044987 0.84 KDM4E (0.39) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9046618 0.82 ADRB2 (0.40) KCNH2ADRB2TOP2ATOP2BALDH1A1
SCHEMBL9046791 0.82 ALDH1A1 (0.43) KCNH2ADRB2ALDH1A1KDM4EHPGD
SCHEMBL9047410 0.80 ALDH1A1 (0.42) KCNH2ADRB2ALDH1A1KDM4EHPGD

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-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed