SCHEMBL7014675

SCHEMBL7014675

COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(C3COC3)c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.48
TOP2B Q02880 8/20 0.48
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRM1 P35372 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GSK3B P49841 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7012229 0.92 TOP2A (0.57) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7014612 0.89 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7008502 0.89 TOP2A (0.61) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL8319180 0.87 CYP3A4 (0.45) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7009159 0.87 CYP3A4 (0.45) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7009304 0.87 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7017683 0.83 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7012951 0.83 KDM4E (0.45) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7007583 0.82 TOP2A (0.55) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7009330 0.82 TOP2A (0.55) 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