SCHEMBL7499433

SCHEMBL7499433

COc1c(-c2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)C3C)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
GSK3B P49841 2/20 0.39
TOP2A P11388 3/20 0.36
TOP2B Q02880 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7501983 0.92 KCNH2 (0.37) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7006129 0.88 TOP2A (0.47) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7008423 0.82 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10TOP2A
SCHEMBL7008680 0.82 TOP2A (0.47) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7495686 0.80 KCNH2 (0.44) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7008712 0.80 ADRB2 (0.41) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7502897 0.78 KCNH2 (0.45) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL4991066 0.78 KDM4E (0.48) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL7492547 0.78 KCNH2 (0.39) KCNH2KDM4EHPGDALDH1A1TDP1
SCHEMBL4998765 0.78 KCNH2 (0.52) KCNH2KDM4EHPGDALDH1A1TDP1

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