SCHEMBL21795248

SCHEMBL21795248

CC(C)(C)OC(=O)N(c1ccc(N)cc1)c1ccc(N(C(=O)OC(C)(C)C)c2ccc(N(C(=O)OC(C)(C)C)c3cccc(N)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.39
NR1H2 P55055 1/20 0.36
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GSK3B P49841 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CLK1 P49759 1/20 0.33
PAX8 Q06710 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL23951598 0.93 ATM (0.42) MT-CO2BRD4TDP1L3MBTL1GSK3B
SCHEMBL7928008 0.88 TDP1 (0.46) MT-CO2TDP1L3MBTL1GSK3BATM
SCHEMBL29966052 0.88 TDP1 (0.46) MT-CO2TDP1L3MBTL1GSK3BATM
SCHEMBL19998347 0.88 MT-CO2 (0.46) MT-CO2NR1H2TDP1L3MBTL1GSK3B
SCHEMBL19998349 0.88 MT-CO2 (0.46) MT-CO2NR1H2TDP1L3MBTL1GSK3B
SCHEMBL22579290 0.83 MT-CO2 (0.43) MT-CO2NR1H2BRD4TDP1L3MBTL1
SCHEMBL20748519 0.81 F2 (0.35) MT-CO2BRD4GSK3B
SCHEMBL7930497 0.81 MT-CO2 (0.41) MT-CO2NR1H2TDP1GSK3BALDH1A1
SCHEMBL3910121 0.81 BRD4 (0.51) NR1H2BRD4ALDH1A1CLK1PAX8
SCHEMBL504005 0.78 L3MBTL1 (0.55) MT-CO2BRD4TDP1L3MBTL1GSK3B

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
WO-2023085390-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-05-19 WO disclosed
WO-2020138259-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND NOVEL MONOMER 日産化学株式会社 2020-07-02 WO disclosed
WO-2020045549-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO disclosed