SCHEMBL7010345

SCHEMBL7010345

COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccon3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.39
TOP2B Q02880 9/20 0.39
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PRKD3 O94806 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP1 P11387 5/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL7012384 0.90 TOP2A (0.42) TOP2ATOP2BPOLBKDM4EALDH1A1
SCHEMBL7006461 0.89 TOP2A (0.45) TOP2ATOP2BPOLBKDM4EALDH1A1
SCHEMBL7011899 0.88 TOP2A (0.38) TOP2ATOP2BPOLBKDM4EALDH1A1
SCHEMBL7009844 0.84 PIM1 (0.46) TOP2ATOP2BPOLBKDM4EPRKD3
SCHEMBL7009251 0.84 TOP2A (0.47) TOP2ATOP2BPOLBKDM4EPRKD3
SCHEMBL7009073 0.83 EPHA2 (0.41) TOP2ATOP2BPOLBKDM4EALDH1A1
SCHEMBL7012951 0.81 KDM4E (0.45) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7012229 0.80 TOP2A (0.57) TOP2ATOP2BPOLBKDM4EPRKD3
SCHEMBL7011787 0.80 ALDH1A1 (0.40) TOP2ATOP2BPOLBKDM4EALDH1A1
SCHEMBL7004763 0.80 KDM4E (0.50) TOP2ATOP2BKDM4EALDH1A1KCNH2

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