SCHEMBL7794490

SCHEMBL7794490

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.75
TOP2B Q02880 1/20 0.75
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPN1 P18031 1/20 0.31
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL7790412 0.94 TOP2A (0.75) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7789965 0.94 TOP2A (0.69) TOP2ATOP2B
SCHEMBL7793233 0.89 TOP2A (0.75) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7793174 0.86 TOP2A (1.00) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7794495 0.86 TOP2A (1.00) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7790424 0.86 TOP2A (1.00) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7793975 0.86 TOP2A (1.00) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7789889 0.86 TOP2A (0.65) TOP2ATOP2BALDH1A1HTTKDM4E
SCHEMBL7793657 0.85 TOP2A (0.85) TOP2ATOP2BNPC1ALDH1A1MAPT
SCHEMBL7789968 0.85 TOP2A (0.85) TOP2ATOP2BNPC1ALDH1A1MAPT

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 claimed