SCHEMBL6846950

SCHEMBL6846950

COc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.66
TP53 P04637 1/20 0.49
MAOA P21397 1/20 0.46
IDO1 P14902 2/20 0.42
LMNA P02545 2/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
GAA P10253 1/20 0.41
C1R P00736 1/20 0.41
S100A4 P26447 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
PADI1 Q9ULC6 1/20 0.40
PADI3 Q9ULW8 1/20 0.40
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 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
SCHEMBL31237838 1.00 TOP2A (0.66) TOP2ATP53MAOAIDO1LMNA
SCHEMBL6846666 0.84 TOP2A (0.70) TOP2AIDO1TDP2NSD2ABL1
SCHEMBL6846906 0.83 TOP2A (0.72) TOP2AMAOAIDO1TDP2NSD2
SCHEMBL6845707 0.82 TOP2A (0.70) TOP2ATP53TDP2NSD2ABL1
SCHEMBL6845597 0.82 TOP2A (0.70) TOP2AIDO1LMNATDP2NSD2
SCHEMBL6846896 0.81 TOP2A (0.66) TOP2AMAOAIDO1TDP2NSD2
Ascididemin SCHEMBL30547678 0.80 TOP2A (1.00) TOP2AMAOAIDO1TDP2NSD2
Ascididemin SCHEMBL6841381 0.80 TOP2A (1.00) TOP2AMAOAIDO1TDP2NSD2
SCHEMBL20259203 0.79 TOP2A (0.70) TOP2AMAOALMNATDP2NSD2
SCHEMBL6845601 0.79 TP53 (0.49) TOP2ATP53MAOAIDO1LMNA

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 4 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