SCHEMBL6846906

SCHEMBL6846906

O=C1c2cccnc2-c2nccc3c2c1nc1ccc(Br)cc13

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.72
TDP2 O95551 2/20 0.45
NSD2 O96028 2/20 0.45
PAX8 Q06710 2/20 0.45
ABL1 P00519 1/20 0.45
PLCG1 P19174 1/20 0.45
CES1 P23141 1/20 0.45
RIN1 Q13671 1/20 0.45
GAA P10253 1/20 0.45
CDC25B P30305 2/20 0.43
PADI1 Q9ULC6 2/20 0.40
PADI3 Q9ULW8 2/20 0.40
PADI4 Q9UM07 2/20 0.40
PADI2 Q9Y2J8 2/20 0.40
HKDC1 Q2TB90 2/20 0.40
S100A4 P26447 2/20 0.40
CTSL P07711 1/20 0.39
PTPRC P08575 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39

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
SCHEMBL20259222 0.91 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL31237393 0.91 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6845499 0.90 TOP2A (0.57) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6846666 0.86 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6845597 0.86 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6845707 0.86 TOP2A (0.70) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL20259137 0.84 TOP2A (0.51) TOP2ACDC25BTERTMEN1KMT2A
Ascididemin SCHEMBL6841381 0.84 TOP2A (1.00) TOP2ATDP2NSD2PAX8ABL1
Ascididemin SCHEMBL30547678 0.84 TOP2A (1.00) TOP2ATDP2NSD2PAX8ABL1
SCHEMBL6846896 0.83 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 1 patent. 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