SCHEMBL7794495

SCHEMBL7794495

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 1.00
TOP2B Q02880 1/20 1.00
PTPN1 P18031 3/20 0.36
TDP1 Q9NUW8 5/20 0.32
PGAM1 P18669 1/20 0.32
MAPT P10636 5/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
AKR1B1 P15121 1/20 0.32
MAPK1 P28482 3/20 0.31
RECQL P46063 2/20 0.31
CYP3A4 P08684 2/20 0.31
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 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
SCHEMBL7793975 1.00 TOP2A (1.00) TOP2ATOP2BPTPN1TDP1PGAM1
SCHEMBL7790424 1.00 TOP2A (1.00) TOP2ATOP2BPTPN1TDP1PGAM1
SCHEMBL7793174 1.00 TOP2A (1.00) TOP2ATOP2BPTPN1TDP1PGAM1
SCHEMBL7793657 0.92 TOP2A (0.85) TOP2ATOP2BPTPN1TDP1PGAM1
SCHEMBL7789968 0.92 TOP2A (0.85) TOP2ATOP2BPTPN1TDP1PGAM1
SCHEMBL7784522 0.92 TOP2A (0.85) TOP2ATOP2BPTPN1TDP1PGAM1
SCHEMBL7790409 0.90 TOP2A (0.81) TOP2ATOP2BPTPN1TDP1ALDH1A1
SCHEMBL7784489 0.88 TOP2A (0.78) TOP2ATOP2BPTPN1PGAM1MAPT
SCHEMBL7784478 0.87 TOP2A (0.76) TOP2ATOP2BPTPN1TDP1MAPT
SCHEMBL7793983 0.87 TOP2A (0.76) TOP2ATOP2BPTPN1TDP1MAPT

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 2 patents. 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
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