SCHEMBL8801893

SCHEMBL8801893

O=C(O)c1cn(-c2ccc(F)cc2F)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
HSP90AA1 P07900 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
EPHA2 P29317 1/20 0.50
FLT4 P35916 1/20 0.50
GSK3B P49841 1/20 0.50
RARB P10826 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL6220162 0.89 ALDH1A1 (0.64) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL31435135 0.89 ALDH1A1 (0.64) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL8801899 0.86 KDM4E (0.39) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL6210375 0.86 TOP1 (0.53) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL13581395 0.86 TOP1 (0.53) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL10512040 0.84 EPHA2 (0.52) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9182790 0.84 STAT3 (0.53) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL13581397 0.83 KDM4E (0.50) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9478764 0.83 TOP1 (0.50) TOP1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9187259 0.83 TOP1 (0.50) TOP1ALDH1A1KDM4EPOLBHSP90AA1

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 5 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
US-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 EP disclosed