SCHEMBL8801899

SCHEMBL8801899

O=C(O)Oc1cn(-c2ccc(F)cc2F)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TOP1 P11387 3/20 0.39
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL6220166 0.90 KDM4E (0.48) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL6210378 0.87 KDM4E (0.39) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL8801893 0.86 TOP1 (0.53) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL8803750 0.84 KDM4E (0.38) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL9416404 0.83 EPHA2 (0.38) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL8139307 0.82 ALDH1A1 (0.36) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL8318212 0.80 LMNA (0.42) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9182790 0.80 STAT3 (0.53) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL6214215 0.79 HTT (0.44) KDM4EALDH1A1TOP1POLBHSP90AA1
SCHEMBL9416468 0.79 MAPK8 (0.43) KDM4EALDH1A1POLBEPHA2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523512-B1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1997-01-15 EP claimed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 EP claimed
EP-0523512-B1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1997-01-15 EP disclosed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 EP disclosed