SCHEMBL30337058

SCHEMBL30337058

O=C1/C(=C/c2ccc(O)c(O)c2)Oc2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 9/20 1.00
MEN1 O00255 6/20 0.80
KMT2A Q03164 6/20 0.80
RECQL P46063 4/20 0.80
AURKA O14965 3/20 0.80
GSK3B P49841 3/20 0.80
CDK5 Q00535 3/20 0.80
MAPT P10636 3/20 0.80
DAPK3 O43293 2/20 0.80
BLK P51451 2/20 0.80
TEK Q02763 2/20 0.80
BTK Q06187 2/20 0.80
ITK Q08881 2/20 0.80
STK17A Q9UEE5 2/20 0.80
DAPK2 Q9UIK4 2/20 0.80
CDK5R1 Q15078 2/20 0.80
MAOA P21397 2/20 0.80
KDM4E B2RXH2 2/20 0.80
NPC1 O15118 2/20 0.80
GAA P10253 2/20 0.80

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
Sulfuretin SCHEMBL30214394 0.89 MEN1 (1.00) STK17BMEN1KMT2ARECQLAURKA
Sulfuretin SCHEMBL634007 0.89 MEN1 (1.00) STK17BMEN1KMT2ARECQLAURKA
Sulfuretin SCHEMBL29545005 0.89 MEN1 (1.00) STK17BMEN1KMT2ARECQLAURKA
Sulfuretin SCHEMBL634006 0.89 MEN1 (1.00) STK17BMEN1KMT2ARECQLAURKA
Sulfuretin SCHEMBL30214408 0.89 MEN1 (1.00) STK17BMEN1KMT2ARECQLAURKA
Sulfuretin SCHEMBL8346701 0.89 MEN1 (1.00) STK17BMEN1KMT2ARECQLAURKA
SCHEMBL3709615 0.84 STK17B (1.00) STK17BMEN1KMT2ARECQLAURKA
SCHEMBL29646271 0.84 STK17B (1.00) STK17BMEN1KMT2ARECQLAURKA
SCHEMBL3709614 0.84 STK17B (1.00) STK17BMEN1KMT2ARECQLAURKA
SCHEMBL4257003 0.80 TOP1 (1.00) STK17BMEN1KMT2ARECQLAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991688-A Heterocyclic orange ketone derivative and application thereof 中国科学院新疆理化技术研究所 2023-04-21 CN claimed
CN-115991688-A Heterocyclic orange ketone derivative and application thereof 中国科学院新疆理化技术研究所 2023-04-21 CN disclosed