SCHEMBL7498463

SCHEMBL7498463

CC1c2ccc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)cc2CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HPGD P15428 3/20 0.38
KCNH2 Q12809 4/20 0.38
GSK3B P49841 2/20 0.38
TOP2A P11388 6/20 0.37
TOP2B Q02880 6/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2895877 0.92 ADRB2 (0.36) KDM4EHPGDKCNH2GSK3BTOP2A
SCHEMBL12673661 0.87 KCNH2 (0.41) KDM4EHPGDKCNH2GSK3BTOP2A
SCHEMBL12665504 0.86 KCNH2 (0.43) KDM4EHPGDKCNH2GSK3BTOP2A
SCHEMBL2898552 0.86 KCNH2 (0.40) KDM4EHPGDKCNH2GSK3BTOP2A
SCHEMBL2898551 0.86 KCNH2 (0.40) KDM4EHPGDKCNH2GSK3BTOP2A
SCHEMBL7497106 0.84 GSK3B (0.41) KDM4EHPGDKCNH2GSK3BTOP2A
SCHEMBL16518636 0.82 KCNH2 (0.42) KDM4EHPGDKCNH2GSK3BTOP2A
Garenoxacin SCHEMBL13575803 0.81 KCNH2 (0.42) KDM4EHPGDKCNH2GSK3BTOP2A
Garenoxacin SCHEMBL2103727 0.81 KCNH2 (0.42) KDM4EHPGDKCNH2GSK3BTOP2A
Garenoxacin SCHEMBL29870066 0.81 KCNH2 (0.42) KDM4EHPGDKCNH2GSK3BTOP2A

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