SCHEMBL8094560

SCHEMBL8094560

O=C(O)c1cn(-c2ccc(F)cc2F)c2ccc(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.53
FLT4 P35916 1/20 0.53
GSK3B P49841 1/20 0.53
RARB P10826 1/20 0.53
TBXAS1 P24557 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL500692 0.91 LMNA (0.56) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL10445662 0.90 RORC (0.52) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9147090 0.89 EPHA2 (0.53) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL2087613 0.86 LMNA (0.53) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL10330764 0.86 LMNA (0.55) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL6216178 0.86 LMNA (0.50) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL10512040 0.85 EPHA2 (0.52) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9046561 0.84 EPHA2 (0.39) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL10516924 0.83 LMNA (0.60) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL10412629 0.83 LMNA (0.50) EPHA2FLT4GSK3BRARBTBXAS1

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 7 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
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed
EP-0338372-A2 Solubilized pro-drugs AMERICAN CYANAMID COMPANY (US) 1989-10-25 EP disclosed
EP-0302371-A2 7-(2-Methyl-4-aminopyrrolidinyl)naphthyridine and quinoline compounds ABBOTT LABORATORIES (US) 1989-02-08 EP disclosed