SCHEMBL9022786

SCHEMBL9022786

CSCC1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
STAT3 P40763 1/20 0.42
MEN1 O00255 1/20 0.42
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TOP1 P11387 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL9023291 0.92 KMT2A (0.44) KMT2ASTAT3MEN1EPHA2FLT4
SCHEMBL9023293 0.88 KMT2A (0.51) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9663694 0.87 KMT2A (0.47) KMT2ASTAT3MEN1EPHA2FLT4
SCHEMBL9023446 0.81 KMT2A (0.37) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9022426 0.81 MEN1 (0.64) KMT2AMEN1GSK3BALDH1A1KDM4E
SCHEMBL9023391 0.79 TOP1 (0.42) KMT2ATOP1ALDH1A1KDM4EHPGD
SCHEMBL5868717 0.79 KMT2A (0.60) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8619695 0.79 KMT2A (0.60) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10434972 0.78 KMT2A (0.43) KMT2ASTAT3MEN1EPHA2FLT4
SCHEMBL8890224 0.77 KMT2A (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP disclosed