SCHEMBL7009271

SCHEMBL7009271

CN1Cc2ccc(-c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)cc2C1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 14/20 0.72
TOP2B Q02880 14/20 0.72
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL7011715 0.92 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7008936 0.91 TOP2A (0.59) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7011028 0.89 TOP2A (0.57) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7009585 0.89 TOP2A (0.57) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7014412 0.89 TOP2A (0.57) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7013762 0.89 TOP2A (0.57) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8319164 0.89 TOP2A (0.56) TOP2ATOP2BALDH1A1POLB
SCHEMBL7009753 0.89 TOP2A (0.56) TOP2ATOP2BALDH1A1POLB
SCHEMBL7013089 0.87 TOP2A (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7010788 0.87 TOP2A (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB

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