SCHEMBL9023446

SCHEMBL9023446

CCSCC1CCN(c2c(F)c(F)c3c(=O)c(OC(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
TOP1 P11387 8/20 0.35
KCNH2 Q12809 1/20 0.34
EPHA2 P29317 1/20 0.33
FLT4 P35916 1/20 0.33
GSK3B P49841 1/20 0.33
RARB P10826 1/20 0.33
TBXAS1 P24557 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM4 P08173 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
XBP1 P17861 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32

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 0.89 KMT2A (0.44) KMT2ATOP1KCNH2EPHA2FLT4
SCHEMBL9023930 0.83 MEN1 (0.46) KMT2AKCNH2GSK3BKDM4EALDH1A1
SCHEMBL9023391 0.81 TOP1 (0.42) KMT2ATOP1KCNH2KDM4EALDH1A1
SCHEMBL9022786 0.81 KMT2A (0.46) KMT2ATOP1KCNH2EPHA2FLT4
SCHEMBL10914315 0.77 TOP1 (0.42) KMT2ATOP1KCNH2KDM4EALDH1A1
SCHEMBL10434974 0.77 KMT2A (0.36) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL6214215 0.76 HTT (0.44) KMT2ATOP1EPHA2FLT4GSK3B
SCHEMBL6213815 0.76 KMT2A (0.35) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9023061 0.75 TOP1 (0.38) KMT2ATOP1KCNH2KDM4EALDH1A1
SCHEMBL9023449 0.75 KCNH2 (0.53) TOP1KCNH2KDM4EALDH1A1HPGD

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 claimed