SCHEMBL9517779

SCHEMBL9517779

CC(C)(CO)CNc1ccc(Br)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 4/20 0.48
BLM P54132 3/20 0.48
NSD2 O96028 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TOP2B Q02880 1/20 0.47
MAPT P10636 7/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MTOR P42345 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
TERT O14746 5/20 0.38
PABPC1 P11940 2/20 0.37
MAPK1 P28482 4/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL7962661 0.92 TOP2B (0.54) MEN1KMT2APOLBBLMNSD2
SCHEMBL9517673 0.83 MEN1 (0.45) MEN1KMT2APOLBBLMNSD2
SCHEMBL4655713 0.82 MAPT (0.54) MEN1KMT2APOLBBLMNSD2
SCHEMBL2639024 0.80 NSD2 (0.51) MEN1KMT2APOLBBLMNSD2
SCHEMBL5187627 0.79 MAPT (0.46) MEN1KMT2APOLBBLMNSD2
SCHEMBL9163040 0.79 MEN1 (0.53) MEN1KMT2APOLBBLMNSD2
SCHEMBL9365329 0.77 TERT (0.48) MEN1KMT2APOLBBLMNSD2
SCHEMBL9358199 0.77 MEN1 (0.54) MEN1KMT2APOLBBLMNSD2
SCHEMBL8657009 0.76 POLB (0.50) MEN1KMT2APOLBBLMNSD2
SCHEMBL11319075 0.76 MAPT (0.51) MEN1KMT2APOLBBLMNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415859-B1 Polyesters colored with the residue of heat stable anthraquinone compounds EASTMAN KODAK CO (US) 1993-11-03 EP disclosed
EP-0489841-A1 POLYESTERS COLORED WITH THE RESIDUE OF HEAT STABLE ANTHRAQUINONE COMPOUNDS EASTMAN KODAK COMPANY (US) 1992-06-17 EP disclosed
WO-1991003509-A1 POLYESTERS COLORED WITH THE RESIDUE OF HEAT STABLE ANTHRAQUINONE COMPOUNDS EASTMAN KODAK COMPANY (US) 1991-03-21 WO disclosed
US-4999418-A Food Containers EASTMAN KODAK COMPANY (US) 1991-03-12 US disclosed
EP-0415859-A1 Polyesters colored with the residue of heat stable anthraquinone compounds EASTMAN CHEMICAL COMPANY (US) 1991-03-06 EP disclosed