SCHEMBL7784472

SCHEMBL7784472

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.63
TOP2B Q02880 1/20 0.63
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 2/20 0.38
P4HB P07237 2/20 0.35
PDIA4 P13667 2/20 0.35
PDIA3 P30101 2/20 0.35
PTPN1 P18031 2/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
MMP2 P08253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL7790428 0.90 TOP2A (0.73) TOP2ATOP2BCYP3A4CYP2D6P4HB
SCHEMBL7789970 0.90 TOP2A (0.73) TOP2ATOP2BCYP3A4CYP2D6P4HB
SCHEMBL7784492 0.90 TOP2A (0.73) TOP2ATOP2BCYP3A4CYP2D6P4HB
SCHEMBL7789896 0.90 TOP2A (0.73) TOP2ATOP2BCYP3A4CYP2D6P4HB
SCHEMBL7784489 0.86 TOP2A (0.78) TOP2ATOP2BCYP3A4PTPN1MMP2
SCHEMBL7789932 0.81 TOP2A (0.64) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7789965 0.80 TOP2A (0.69) TOP2ATOP2B
SCHEMBL7794023 0.80 TOP2A (0.64) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7794516 0.80 TOP2A (0.64) TOP2ATOP2BP4HBPDIA4PDIA3
SCHEMBL7790425 0.79 TOP2A (0.71) TOP2ATOP2BKDM4EMAPT

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