SCHEMBL7495686

SCHEMBL7495686

COc1c(-c2cc(F)c3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)C3)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 2/20 0.43
TOP2A P11388 5/20 0.41
TOP2B Q02880 5/20 0.41
LMNA P02545 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
SCHEMBL7506840 0.92 TOP2A (0.40) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7499466 0.92 ADRB2 (0.39) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7499012 0.91 TOP2A (0.43) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7502897 0.88 KCNH2 (0.45) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7492578 0.88 KCNH2 (0.45) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7502023 0.85 KCNH2 (0.37) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7500976 0.84 ADRB2 (0.38) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7499418 0.83 ADRB2 (0.41) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7013345 0.82 TOP2A (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7007624 0.82 TOP2A (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10

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