SCHEMBL7007624

SCHEMBL7007624

COc1c(-c2ccc3c(c2)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 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
KCNH2 Q12809 3/20 0.48
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 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
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.43
CYP2C19 P33261 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
SCHEMBL7008331 0.92 TOP2A (0.47) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7014704 0.92 TOP2A (0.49) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7010122 0.91 ADRB2 (0.43) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7013315 0.91 TOP2A (0.61) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7012172 0.91 TOP2A (0.52) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7006571 0.89 TOP2A (0.51) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7008680 0.87 TOP2A (0.47) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7006129 0.87 TOP2A (0.47) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7011028 0.86 TOP2A (0.57) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7013345 0.85 TOP2A (0.49) TOP2ATOP2BKCNH2GSK3BKDM4E

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