SCHEMBL9023293

SCHEMBL9023293

CSCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
TOP1 P11387 3/20 0.48
TOP2A P11388 9/20 0.48
KCNH2 Q12809 1/20 0.48
TOP2B Q02880 7/20 0.47
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47
RARB P10826 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PMP22 Q01453 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
SCHEMBL9023391 0.90 TOP1 (0.42) KMT2ATOP1TOP2AKCNH2TOP2B
SCHEMBL9022786 0.88 KMT2A (0.46) KMT2ATOP1TOP2AKCNH2TOP2B
SCHEMBL9870128 0.88 KMT2A (0.51) KMT2ATOP1TOP2AKCNH2TOP2B
SCHEMBL9665137 0.87 KMT2A (0.53) KMT2ATOP1TOP2ATOP2BEPHA2
SCHEMBL9022525 0.86 KMT2A (0.47) KMT2ATOP1TOP2AKCNH2TOP2B
SCHEMBL30626277 0.86 KDM4E (0.58) KMT2ATOP1TOP2ATOP2BEPHA2
SCHEMBL29080644 0.86 KDM4E (0.58) KMT2ATOP1TOP2ATOP2BEPHA2
SCHEMBL9869658 0.85 KMT2A (0.69) KMT2ATOP1TOP2ATOP2BALDH1A1
SCHEMBL9869272 0.84 TOP1 (0.54) KMT2ATOP1TOP2AKCNH2TOP2B
SCHEMBL9870457 0.84 KMT2A (0.53) KMT2ATOP1TOP2ATOP2BEPHA2

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