SCHEMBL7011702

SCHEMBL7011702

Nc1c(F)c(-c2ccc3c(c2)CNC3)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.65
TOP2B Q02880 5/20 0.65
CACNA1F O60840 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
KCNH2 Q12809 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
GSK3B P49841 13/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7005917 0.92 TOP2A (0.63) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL7006682 0.90 TOP2A (0.55) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL7012074 0.88 TOP2A (0.51) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL7098947 0.87 TOP2A (0.53) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL7012570 0.86 TOP2A (0.67) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL7005848 0.83 TOP2A (0.51) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL7010234 0.83 TOP2A (0.73) TOP2ATOP2BPOLBKCNH2GSK3B
SCHEMBL7008547 0.79 TOP2A (0.63) TOP2ATOP2BPOLBKCNH2GSK3B
SCHEMBL7013280 0.78 TOP2A (0.42) TOP2ATOP2BCACNA1FPOLBMAPK1
SCHEMBL4998787 0.78 TOP2A (0.55) TOP2ATOP2BPOLBKCNH2GSK3B

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