SCHEMBL29080974

SCHEMBL29080974

O=C1C2=C(CCCCCCCCCCCCCCCCCCCC2)C(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAOA P21397 5/20 0.50
APAF1 O14727 3/20 0.50
TDP2 O95551 3/20 0.50
S100A4 P26447 3/20 0.50
MAPT P10636 3/20 0.50
CES1 P23141 2/20 0.50
PTPRC P08575 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CES2 O00748 1/20 0.50
TERT O14746 1/20 0.50
NPC1 O15118 1/20 0.50
PLIN1 O60240 1/20 0.50

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
SCHEMBL29519720 0.97 MEN1 (0.55) CDC25BMEN1KMT2AMAOAAPAF1
SCHEMBL545308 0.97 MEN1 (0.55) CDC25BMEN1KMT2AMAOAAPAF1
SCHEMBL10697306 0.95 MEN1 (0.52) CDC25BMEN1KMT2AMAOAAPAF1
SCHEMBL10697311 0.95 MEN1 (0.52) CDC25BMEN1KMT2AMAOAAPAF1
Anthraquinone SCHEMBL11352939 0.95 MEN1 (0.60) CDC25BMEN1KMT2AMAOAAPAF1
Phentydrone SCHEMBL875187 0.93 MEN1 (0.57) CDC25BMEN1KMT2AMAOAAPAF1
Phentydrone SCHEMBL9628384 0.87 MEN1 (0.50) CDC25BMEN1KMT2AMAOAAPAF1
SCHEMBL5802523 0.87 MEN1 (0.44) CDC25BMEN1KMT2AMAOAAPAF1
Phentydrone SCHEMBL147182 0.85 MEN1 (0.48) CDC25BMEN1KMT2AMAOAAPAF1
SCHEMBL23198962 0.82 PTPRC (0.53) CDC25BMEN1KMT2AAPAF1TDP2

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
CN-112739725-B Amino quinone anti-polymerization agent and method of use thereof 埃科莱布美国股份有限公司 2023-09-26 CN claimed