SCHEMBL8909389

SCHEMBL8909389

O=C1C2=C(C(=O)c3ccccc31)C1=CC=C2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CDC25B P30305 2/20 0.50
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
S100A4 P26447 4/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
APAF1 O14727 3/20 0.48
TDP2 O95551 3/20 0.48
CES1 P23141 3/20 0.48
HTT P42858 3/20 0.48
POLB P06746 3/20 0.48
BLM P54132 3/20 0.48
PTPRC P08575 3/20 0.48
MAOA P21397 2/20 0.48
BCHE P06276 2/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL14003716 0.76 CDC25B (0.73) MEN1KMT2ACDC25BRAB9ANPC1
SCHEMBL7392371 0.73 MAOA (0.38) MEN1KMT2ACDC25BRAB9ANPC1
SCHEMBL4552082 0.73 MAOA (0.38) MEN1KMT2ACDC25BRAB9ANPC1
SCHEMBL3275841 0.71 CES1 (0.52) MEN1KMT2ACDC25BRAB9ANPC1
Anthraquinone SCHEMBL29358690 0.69 MEN1 (1.00) MEN1KMT2ACDC25BRAB9ANPC1
Anthraquinone SCHEMBL1901249 0.69 MEN1 (1.00) MEN1KMT2ACDC25BRAB9ANPC1
Anthraquinone SCHEMBL14943 0.69 MEN1 (1.00) MEN1KMT2ACDC25BRAB9ANPC1
SCHEMBL11580301 0.69 CDC25B (0.61) MEN1KMT2ACDC25BRAB9ANPC1
SCHEMBL14031350 0.69 CDC25B (0.61) MEN1KMT2ACDC25BRAB9ANPC1
SCHEMBL3498908 0.68 MEN1 (0.52) MEN1KMT2ACDC25BRAB9ANPC1

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
US-5677471-A Process for the preparation of quinone derivative EISAI CHEMICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5476955-A Process for the preparation of a quinone derivative EISAI CHEMICAL CO., LTD. (JP) 1995-12-19 US disclosed
US-5412124-A Preparation process of naphthoquinone derivative and intermediate for the preparation thereof EISAI CHEMICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0613877-A1 Preparation process of quinone derivative and intermediate for the preparation thereof EISAI CHEMICAL CO., LTD. (JP) 1994-09-07 EP disclosed