SCHEMBL7012229

SCHEMBL7012229

COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.57
TOP2B Q02880 6/20 0.57
KDM4E B2RXH2 4/20 0.55
HPGD P15428 4/20 0.55
KCNH2 Q12809 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
POLB P06746 1/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
OPRM1 P35372 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GSK3B P49841 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.48

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
SCHEMBL7014675 0.92 TOP2A (0.48) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7017683 0.90 TOP2A (0.45) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7009159 0.90 CYP3A4 (0.45) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL8319180 0.90 CYP3A4 (0.45) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7009330 0.90 TOP2A (0.55) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7007583 0.90 TOP2A (0.55) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7009906 0.88 TOP2A (0.60) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7010234 0.88 TOP2A (0.73) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7011028 0.88 TOP2A (0.57) TOP2ATOP2BKDM4EHPGDKCNH2
Bromide SCHEMBL7009053 0.88 TOP2A (0.59) TOP2ATOP2BKDM4EHPGDKCNH2

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