SCHEMBL6845707

SCHEMBL6845707

Nc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.70
TDP2 O95551 3/20 0.44
NSD2 O96028 3/20 0.44
PAX8 Q06710 3/20 0.44
ABL1 P00519 1/20 0.44
PLCG1 P19174 1/20 0.44
CES1 P23141 1/20 0.44
RIN1 Q13671 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6845596 0.90 TOP2A (0.56) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6846906 0.86 TOP2A (0.72) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6846666 0.85 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6845597 0.85 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
Ascididemin SCHEMBL30547678 0.83 TOP2A (1.00) TOP2ATDP2NSD2PAX8ABL1
Ascididemin SCHEMBL6841381 0.83 TOP2A (1.00) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6846950 0.82 TOP2A (0.66) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6846896 0.82 TOP2A (0.66) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL20259203 0.82 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL31237838 0.82 TOP2A (0.66) TOP2ATDP2NSD2PAX8ABL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202992-B1 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS CEPHALON FRANCE (FR) 2004-09-15 EP claimed
EP-1202992-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2002-05-08 EP claimed
WO-2001012631-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2001-02-22 WO claimed
EP-1202992-B1 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS CEPHALON FRANCE (FR) 2004-09-15 EP disclosed
EP-1202992-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
WO-2001012631-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed