SCHEMBL7793983

SCHEMBL7793983

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.76
TOP2B Q02880 1/20 0.76
TDP1 Q9NUW8 2/20 0.32
PTPN1 P18031 1/20 0.31
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 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
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 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
SCHEMBL7784478 1.00 TOP2A (0.76) TOP2ATOP2BTDP1PTPN1MAPK1
SCHEMBL7793233 0.95 TOP2A (0.75) TOP2ATOP2BTDP1PTPN1MAPK1
SCHEMBL7790450 0.94 TOP2A (0.71) TOP2ATOP2BTDP1KDM4EMAPT
SCHEMBL7790550 0.94 TOP2A (0.71) TOP2ATOP2BTDP1KDM4EMAPT
SCHEMBL7790425 0.94 TOP2A (0.71) TOP2ATOP2BTDP1KDM4EMAPT
SCHEMBL7790412 0.88 TOP2A (0.75) TOP2ATOP2BMAPK1KDM4EMEN1
SCHEMBL7794020 0.87 TOP2A (0.66) TOP2ATOP2BTDP1KDM4ECYP3A4
SCHEMBL7794455 0.87 TOP2A (0.66) TOP2ATOP2BTDP1KDM4ECYP3A4
SCHEMBL7794495 0.87 TOP2A (1.00) TOP2ATOP2BTDP1PTPN1MAPK1
SCHEMBL7790424 0.87 TOP2A (1.00) TOP2ATOP2BTDP1PTPN1MAPK1

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