SCHEMBL7013113

SCHEMBL7013113

Cc1c(F)c(-c2ccc3c(c2)CN(C)C3)c(C)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.51
TOP2B Q02880 8/20 0.51
KCNH2 Q12809 4/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GSK3B P49841 6/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1F O60840 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL7005848 0.87 TOP2A (0.51) TOP2ATOP2BKCNH2HRH3GSK3B
SCHEMBL7008855 0.87 TOP2A (0.65) TOP2ATOP2BKCNH2HRH3GSK3B
SCHEMBL7011715 0.85 TOP2A (0.60) TOP2ATOP2BKCNH2GSK3BPOLB
SCHEMBL7012570 0.84 TOP2A (0.67) TOP2ATOP2BKCNH2GSK3BCACNA1F
SCHEMBL7009271 0.82 TOP2A (0.72) TOP2ATOP2BKCNH2GSK3BPOLB
SCHEMBL7014195 0.81 TOP2A (0.50) TOP2ATOP2BKCNH2HRH3GSK3B
SCHEMBL7008936 0.79 TOP2A (0.59) TOP2ATOP2BKCNH2GSK3BPOLB
SCHEMBL8111016 0.78 TOP2A (0.58) TOP2ATOP2BKCNH2HRH3GSK3B
SCHEMBL4998732 0.78 TOP2A (0.46) TOP2ATOP2BKCNH2GSK3BPOLB
SCHEMBL7009585 0.78 TOP2A (0.57) TOP2ATOP2BKCNH2GSK3BPOLB

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