SCHEMBL9670516

SCHEMBL9670516

O=C(O)Oc1cn(-c2ccc(F)cc2)c2nc(N3CCN4CCC3C4)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DPP4 P27487 6/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 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
SCHEMBL9670512 0.89 KMT2A (0.56) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9668903 0.86 DPP4 (0.47) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL9670834 0.85 DPP4 (0.46) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9670617 0.84 LMNA (0.51) KMT2ADPP4LMNAKDM4EALDH1A1
SCHEMBL9669597 0.82 LMNA (0.50) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL10649327 0.81 KDM4E (0.39) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL10757394 0.81 DPP4 (0.48) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL9668992 0.80 KDM4E (0.38) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL6211209 0.77 LMNA (0.37) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9216042 0.76 EPHA2 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed