SCHEMBL7790409

SCHEMBL7790409

COc1c2c(c3cccnc3c1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1F)C(=O)c1ccccc1C2=O

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.81
TOP2B Q02880 1/20 0.81
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.33
EGFR P00533 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
PTPN1 P18031 1/20 0.32
TACR1 P25103 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7793174 0.90 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7794495 0.90 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7790424 0.90 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7793975 0.90 TOP2A (1.00) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7784522 0.82 TOP2A (0.85) TOP2ATOP2BKDM4EALDH1A1TDP1
SCHEMBL7789968 0.82 TOP2A (0.85) TOP2ATOP2BKDM4EALDH1A1EPHX2
SCHEMBL7793657 0.82 TOP2A (0.85) TOP2ATOP2BKDM4EALDH1A1EPHX2
SCHEMBL7784489 0.80 TOP2A (0.78) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7784478 0.78 TOP2A (0.76) TOP2ATOP2BKDM4EALDH1A1TDP1
SCHEMBL7793983 0.78 TOP2A (0.76) TOP2ATOP2BKDM4EALDH1A1TDP1

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