SCHEMBL7794477

SCHEMBL7794477

C[C@@H]1O[C@H](Oc2c(OC(=O)CCNC(=O)OC(C)(C)C)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 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 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

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 0.93 TOP2A (0.61) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7790415 0.93 TOP2A (0.61) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7794020 0.87 TOP2A (0.66) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7794455 0.87 TOP2A (0.66) TOP2ATOP2BKDM4EL3MBTL1MALT1
SCHEMBL7790425 0.79 TOP2A (0.71) TOP2ATOP2BKDM4EMAPTTDP1
SCHEMBL7790550 0.79 TOP2A (0.71) TOP2ATOP2BKDM4EMAPTTDP1
SCHEMBL7784492 0.75 TOP2A (0.73) TOP2ATOP2BKDM4EALDH1A1MAPT
SCHEMBL7789970 0.75 TOP2A (0.73) TOP2ATOP2BKDM4EALDH1A1MAPT
SCHEMBL7784478 0.73 TOP2A (0.76) TOP2ATOP2BKDM4EALDH1A1MAPT
SCHEMBL7789965 0.72 TOP2A (0.69) TOP2ATOP2B

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