SCHEMBL7009330

SCHEMBL7009330

O=C(O)c1cn(C2CC2)c2c(OCF)c(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.55
TOP2B Q02880 7/20 0.55
GSK3B P49841 2/20 0.46
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 1/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRM1 P35372 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7012871 0.90 TOP2A (0.43) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL8317967 0.90 TOP2A (0.43) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7012229 0.90 TOP2A (0.57) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7007583 0.88 TOP2A (0.55) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7013089 0.87 TOP2A (0.54) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7006761 0.87 TOP2A (0.58) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7010234 0.87 TOP2A (0.73) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7008547 0.86 TOP2A (0.63) TOP2ATOP2BGSK3BKCNH2KDM4E
SCHEMBL7006455 0.85 KDM4E (0.43) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7007995 0.85 TOP2A (0.60) TOP2ATOP2BGSK3BKCNH2KDM4E

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