SCHEMBL8324565

SCHEMBL8324565

O=C(O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)nc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EPHA2 P29317 1/20 0.48
FLT4 P35916 1/20 0.48
GSK3B P49841 1/20 0.48
RARB P10826 1/20 0.48
TBXAS1 P24557 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL3132964 0.90 EPHA2 (0.46) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5868646 0.84 TSHR (0.42) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL5571721 0.83 LMNA (0.58) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5316747 0.82 KMT2A (0.66) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL500692 0.80 LMNA (0.56) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8322470 0.79 KMT2A (0.49) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8094560 0.79 EPHA2 (0.53) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9147090 0.79 EPHA2 (0.53) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9047587 0.78 ALDH1A1 (0.47) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10445662 0.77 RORC (0.52) KMT2AEPHA2FLT4GSK3BRARB

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-5962468-A ANTIBACTERIAL ACTIVITY LG CHEMICAL LTD. (KR) 1999-10-05 US disclosed
EP-0688772-B1 Quinoline carboxylic acid derivatives having 7-(4-amino-methyl-3-oxime) pyrrolidine substituents and processes for their preparation LG CHEMICAL LTD (KR) 1999-05-06 EP disclosed
US-5869670-A BACTERICIDES LG CHEMICAL LTD. (KR) 1999-02-09 US disclosed
US-5840916-A INTERMEDIATE FOR QUINOLONE ANTIBIOTICS; 4-AMINOMETHYL-3-METHOXYIMINOPYRROLIDINE LG CHEMICAL LTD. (KR) 1998-11-24 US disclosed
US-5776944-A 7-(4-aminomethyl-3-methyloxyiminopyrroplidin-1-yl)-1-cyclopropyl-6-flu oro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid and the process for the preparation thereof LG CHEMICAL LTD. (KR) 1998-07-07 US disclosed
US-5698570-A QUINOLONE ANTIBIOTIC; BACTERICIDES LG CHEMICAL LTD. (KR) 1997-12-16 US disclosed
US-5633262-A BACTERICIDES LG CHEMICAL LTD. (KR) 1997-05-27 US disclosed
EP-0688772-A1 Novel quinoline carboxylic acid derivatives having 7-(4-amino-methyl-3-oxime) pyrrolidine substituents and processes for their preparation LG Chemical Limited (KR) 1995-12-27 EP disclosed