SCHEMBL7013345

SCHEMBL7013345

COc1c(-c2cc(F)c3c(c2F)CN(S(=O)(=O)c2ccc(C)cc2)C3)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
KCNH2 Q12809 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
PRKD3 O94806 1/20 0.48
ALOX15 P16050 1/20 0.48
OPRM1 P35372 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
GSK3B P49841 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.43

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
SCHEMBL7012706 0.91 ADRB2 (0.45) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7007624 0.85 TOP2A (0.49) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7008300 0.84 KDM4E (0.50) TOP2ATOP2BKDM4EHPGDALDH1A1
SCHEMBL7495686 0.82 KCNH2 (0.44) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7492578 0.82 KCNH2 (0.45) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7008776 0.81 KDM4E (0.56) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7502897 0.80 KCNH2 (0.45) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7013315 0.79 TOP2A (0.61) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7006129 0.78 TOP2A (0.47) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7008680 0.78 TOP2A (0.47) 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 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