SCHEMBL7008331

SCHEMBL7008331

Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4OC(F)F)cc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.47
TOP2B Q02880 7/20 0.47
KCNH2 Q12809 5/20 0.41
GSK3B P49841 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7007624 0.92 TOP2A (0.49) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7010280 0.92 ADRB2 (0.42) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7014704 0.90 TOP2A (0.49) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7013315 0.89 TOP2A (0.61) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7012172 0.89 TOP2A (0.52) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7492547 0.88 KCNH2 (0.39) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7013518 0.88 TOP2A (0.46) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7006571 0.88 TOP2A (0.51) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7010788 0.86 TOP2A (0.54) TOP2ATOP2BKCNH2GSK3BKDM4E
SCHEMBL7010122 0.84 ADRB2 (0.43) 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