SCHEMBL6845499

SCHEMBL6845499

O=C1c2ncccc2-c2nccc3c2c1nc1ccc(Br)cc13

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.57
CDC25B P30305 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TDP2 O95551 2/20 0.40
NSD2 O96028 2/20 0.40
PAX8 Q06710 2/20 0.40
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
MAOA P21397 2/20 0.40
TERT O14746 1/20 0.39
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38

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
SCHEMBL6846906 0.90 TOP2A (0.72) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL6845596 0.86 TOP2A (0.56) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL7635167 0.84 TOP2A (0.80) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL31237393 0.81 TOP2A (0.70) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL20259222 0.81 TOP2A (0.70) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL7186247 0.79 TOP2A (0.75) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL20259137 0.77 TOP2A (0.51) TOP2ACDC25BMEN1KMT2ATERT
SCHEMBL6846666 0.76 TOP2A (0.70) TOP2AMEN1KMT2ATHRBBLM
SCHEMBL6845707 0.76 TOP2A (0.70) TOP2ACDC25BMEN1KMT2ATHRB
SCHEMBL6845597 0.76 TOP2A (0.70) TOP2ACDC25BMEN1KMT2ATHRB

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 3 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-3548486-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
WO-2018104194-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-06-14 WO disclosed