SCHEMBL17995256

SCHEMBL17995256

Cn1c(C(=O)OC(C)(C)C)cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.61
SLC9A1 P19634 1/20 0.52
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
DAO P14920 1/20 0.45
IDO1 P14902 1/20 0.45
PHGDH O43175 1/20 0.43

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
SCHEMBL6049263 0.83 MCL1 (0.44) MCL1SLC9A1MEN1KMT2ADAO
SCHEMBL29834903 0.82 L3MBTL1 (0.67) MCL1SLC9A1MAPTL3MBTL1UTS2R
SCHEMBL4486403 0.82 L3MBTL1 (0.67) MCL1SLC9A1MAPTL3MBTL1UTS2R
SCHEMBL29524946 0.82 NR1H2 (0.55)
SCHEMBL387114 0.82 MCL1 (0.43) MCL1SLC9A1MEN1KMT2ADAO
SCHEMBL28868200 0.81 MCL1 (0.65) MCL1SLC9A1MAPTL3MBTL1UTS2R
SCHEMBL17009677 0.81 L3MBTL1 (0.50) MCL1SLC9A1MAPTL3MBTL1
SCHEMBL319362 0.79 CNR2 (0.52) MCL1MEN1KMT2A
SCHEMBL16264927 0.79 CNR2 (0.54) MCL1MEN1KMT2A
SCHEMBL2732940 0.79 MCL1 (0.67) MCL1SLC9A1MAPTMEN1NPC1

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
CN-114728914-B Dioxopiperazine derivative, preparation method thereof and application thereof in medicines 深圳信立泰药业股份有限公司 2023-05-12 CN disclosed
CN-114728914-A Dioxopiperazine derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed