SCHEMBL7008680

SCHEMBL7008680

COc1c(-c2ccc3c(c2)C(C)N(S(=O)(=O)c2ccc(C)cc2)C3)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.47
TOP2B Q02880 6/20 0.47
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
KCNH2 Q12809 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
GSK3B P49841 2/20 0.45
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7006129 0.94 TOP2A (0.47) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7013518 0.93 TOP2A (0.46) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7010273 0.92 ADRB2 (0.41) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7007624 0.87 TOP2A (0.49) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7008712 0.86 ADRB2 (0.41) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7012238 0.85 ADRB2 (0.41) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7012913 0.83 KDM4E (0.44) TOP2ATOP2BKDM4EHPGDALDH1A1
SCHEMBL7499433 0.82 KCNH2 (0.43) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7008331 0.81 TOP2A (0.47) TOP2ATOP2BKDM4EHPGDKCNH2
SCHEMBL7014405 0.80 KDM4E (0.57) 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