SCHEMBL6845596

SCHEMBL6845596

Nc1ccc2nc3c4c(nccc4c2c1)-c1cccnc1C3=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.56
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
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
HSD17B10 Q99714 1/20 0.40
PADI1 Q9ULC6 2/20 0.40
PADI3 Q9ULW8 2/20 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
SCHEMBL6845707 0.90 TOP2A (0.70) TOP2AMEN1THRBBLMKMT2A
SCHEMBL6845499 0.86 TOP2A (0.57) TOP2AMEN1THRBBLMKMT2A
SCHEMBL7635167 0.83 TOP2A (0.80) TOP2AMEN1THRBBLMKMT2A
SCHEMBL7186247 0.78 TOP2A (0.75) TOP2AMEN1THRBBLMKMT2A
SCHEMBL6846906 0.76 TOP2A (0.72) TOP2AMEN1THRBBLMKMT2A
SCHEMBL16072069 0.76 TOP2A (0.51) TOP2AMEN1THRBBLMKMT2A
SCHEMBL6845597 0.75 TOP2A (0.70) TOP2AMEN1THRBBLMKMT2A
SCHEMBL6846666 0.75 TOP2A (0.70) TOP2AMEN1THRBBLMKMT2A
SCHEMBL6846896 0.72 TOP2A (0.66) TOP2AMEN1THRBBLMKMT2A
SCHEMBL20259203 0.72 TOP2A (0.70) TOP2AMEN1THRBBLMKMT2A

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