SCHEMBL7499012

SCHEMBL7499012

Cc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc5c(=O)c(C(=O)O)cn(C6CC6)c5c4C)cc(F)c3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.43
TOP2B Q02880 8/20 0.43
KCNH2 Q12809 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL7495686 0.91 KCNH2 (0.44) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7499418 0.90 ADRB2 (0.41) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7506840 0.89 TOP2A (0.40) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7502981 0.88 HDAC1 (0.41) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7498452 0.83 TOP2A (0.47) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7499466 0.83 ADRB2 (0.39) KCNH2ALDH1A1KDM4ELMNAHPGD
SCHEMBL7502023 0.82 KCNH2 (0.37) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7012172 0.81 TOP2A (0.52) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7500976 0.81 ADRB2 (0.38) TOP2ATOP2BKCNH2ALDH1A1KDM4E
SCHEMBL7503095 0.80 HDAC1 (0.40) TOP2ATOP2BKCNH2ALDH1A1KDM4E

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-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed