SCHEMBL7007548

SCHEMBL7007548

CC1NCc2ccc(-c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.53
TOP2B Q02880 7/20 0.53
KCNH2 Q12809 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
OPRM1 P35372 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GSK3B P49841 2/20 0.45
LMNA P02545 1/20 0.42

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
SCHEMBL7005683 0.95 TOP2A (0.51) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7014405 0.92 KDM4E (0.57) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7011115 0.89 TOP2A (0.54) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7007583 0.88 TOP2A (0.55) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7011146 0.86 KDM4E (0.56) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7010788 0.85 TOP2A (0.54) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7012404 0.84 TOP2A (0.51) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7011269 0.83 TOP2A (0.51) TOP2ATOP2BKCNH2KDM4EALDH1A1
Garenoxacin SCHEMBL2897686 0.82 KCNH2 (0.42) TOP2ATOP2BKCNH2KDM4EALDH1A1
Garenoxacin SCHEMBL29870066 0.82 KCNH2 (0.42) TOP2ATOP2BKCNH2KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed