SCHEMBL28085560

SCHEMBL28085560

CNC(=O)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.51
PDK2 Q15119 1/20 0.51
PLK1 P53350 2/20 0.50
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
GAA P10253 2/20 0.49
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL29434886 0.86 HNF4A (0.66) HNF4APDK2PLK1CHRNB2CHRNA4
SCHEMBL3223294 0.85 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3GAA
SCHEMBL7445914 0.84 MYC (0.53) HNF4APDK2PLK1CHRNB2CHRNA4
SCHEMBL17461871 0.83 FABP4 (0.56) PDK2PLK1GAAKDM4ENPC1
SCHEMBL8088437 0.83 HNF4A (0.51) HNF4ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL541086 0.83 HNF4A (0.51) HNF4ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7445832 0.83 HNF4A (0.51) HNF4ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15472559 0.82 CHRNB2 (0.56) PLK1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29854234 0.81 HNF4A (0.50) HNF4APDK2PLK1CHRNB2CHRNA4
SCHEMBL30147654 0.81 KAT6A (0.59) HNF4APDK2PLK1CHRNB2CHRNA4

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
CN-105753739-A Reverse Amide Compounds As Protein Deacetylase Inhibitors And Methods Of Use Thereof 埃斯泰隆制药公司 2016-07-13 CN claimed
CN-117355373-A Ethylene oligomerization process 切弗朗菲利浦化学公司 2024-01-05 CN disclosed
CN-105727298-A REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF 埃斯泰隆制药公司 2016-07-06 CN disclosed