SCHEMBL7790415

SCHEMBL7790415

C[C@@H]1O[C@@H](Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)[C@@H](F)[C@H](OC(=O)CCNC(=O)OC(C)(C)C)[C@@H]1OC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.61
TOP2B Q02880 1/20 0.61
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
PDPK1 O15530 1/20 0.32
CCNB2 O95067 1/20 0.32
PRKCB P05771 1/20 0.32
CDK1 P06493 1/20 0.32
LYN P07948 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL7789986 1.00 TOP2A (0.61) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7790417 0.95 TOP2A (0.65) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7794455 0.95 TOP2A (0.66) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7794020 0.95 TOP2A (0.66) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7794477 0.93 TOP2A (0.51) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7790450 0.87 TOP2A (0.71) TOP2ATOP2BKDM4ETDP1MAPT
SCHEMBL7790425 0.87 TOP2A (0.71) TOP2ATOP2BKDM4ETDP1MAPT
SCHEMBL7790550 0.87 TOP2A (0.71) TOP2ATOP2BKDM4ETDP1MAPT
SCHEMBL7790428 0.83 TOP2A (0.73) TOP2ATOP2BKDM4ERPS6KA3TDP1
SCHEMBL7789896 0.83 TOP2A (0.73) TOP2ATOP2BKDM4ERPS6KA3TDP1

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-1156056-A1 5-GLYCOSYLOXY-6-HYDROXYNAPHTHO 2,3-f]QUINOLINE-7,12-DIONE HAVING ANTICANCER ACTIVITIES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2001-11-21 EP disclosed