SCHEMBL9022525

SCHEMBL9022525

O=C(O)c1cn(-c2ccc(F)cc2F)c2c(F)c(N3CCC(CSc4ccccn4)C3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
TOP2A P11388 11/20 0.46
TOP2B Q02880 7/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TOP1 P11387 4/20 0.43
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9023061 0.92 TOP1 (0.38) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL9023293 0.86 KMT2A (0.51) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL9022851 0.86 KCNH2 (0.56) TOP2ATOP2BKDM4EALDH1A1TOP1
SCHEMBL9870128 0.81 KMT2A (0.51) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL29080644 0.80 KDM4E (0.58) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL30626277 0.80 KDM4E (0.58) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL9665137 0.79 KMT2A (0.53) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL9869658 0.79 KMT2A (0.69) KMT2ATOP2ATOP2BALDH1A1TOP1
SCHEMBL9869272 0.78 TOP1 (0.54) KMT2ATOP2ATOP2BKDM4EALDH1A1
SCHEMBL9870457 0.78 KMT2A (0.53) KMT2ATOP2ATOP2BKDM4EALDH1A1

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-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP claimed
EP-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP disclosed
EP-0500835-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE. DAE WOONG PHARMA (KR) 1992-09-02 EP disclosed
WO-1992004342-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1992-03-19 WO disclosed