SCHEMBL8096676

SCHEMBL8096676

O=C(O)c1cc(=O)c2cc(F)c(F)c(F)c2n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.47
TOP2B Q02880 9/20 0.47
PIM1 P11309 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
POLB P06746 2/20 0.34
CYP11B2 P19099 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IKBKB O14920 1/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKCG P05129 1/20 0.32

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
SCHEMBL3136241 0.88 TOP2A (0.47) TOP2ATOP2BNOTUMCYP11B2
SCHEMBL10817331 0.88 TOP2A (0.47) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL4305779 0.85 TOP2A (0.42) TOP2ATOP2BGSK3BALDH1A1KDM4E
SCHEMBL7121568 0.83 TOP2A (0.41) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL4300362 0.83 TOP2A (0.39) TOP2ATOP2BCYP11B2
SCHEMBL3129267 0.83 TOP2A (0.39) TOP2ATOP2B
SCHEMBL23037281 0.82 TOP2A (0.47) TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9428229 0.82 TOP2A (0.40) TOP2ATOP2BGSK3BALDH1A1KDM4E
SCHEMBL11004379 0.81 KDM4E (0.44) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL27741279 0.80 TOP2A (0.37) TOP2ATOP2BGSK3BNOTUMALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
CN-1087634-A 7-Isoindolinyl-quinolone derivatives and 7-isoindolinyl-naphthyridone derivatives BAYER AG (DE) 1994-06-08 CN disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed
US-5182401-A Bactericide intermediate BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed
US-4945160-A Preparation of certain 7-substituted quinolones WARNER-LAMBERT COMPANY (US) 1990-07-31 US disclosed