SCHEMBL27972715

SCHEMBL27972715

O=C(O)c1cccc(C2COCCN2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NR4A1 P22736 3/20 0.35
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTSK P43235 1/20 0.33
HSPD1 P10809 1/20 0.33
HSPE1 P61604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
CDC25B P30305 1/20 0.32
DNA2 P51530 1/20 0.32
CASP6 P55212 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL28687501 0.85 GPR35 (0.42) CTSKHSP90AA1PRKACAPRKACGPRKACB
SCHEMBL29092115 0.81 CTSK (0.36) TSHRCTSKPRKACAPRKACGPRKACB
SCHEMBL28543912 0.80 PRKACA (0.32) TDP1KDM4EPRKACAPRKACGPRKACB
SCHEMBL28049070 0.80 PRKACA (0.31) PRKACAPRKACGPRKACB
SCHEMBL28049067 0.80 CTSK (0.33) CTSKPRKACAPRKACGPRKACB
SCHEMBL5863841 0.80 PARP1 (0.41) TSHRNR4A1TDP1FABP4HSPD1
SCHEMBL28153044 0.79 HSPA1A (0.42) TSHRNR4A1TDP1FABP4KDM4E
SCHEMBL29105247 0.79 ALDH1A1 (0.45) TDP1KDM4EHSP90AA1KMT2ASMN1; SMN2
SCHEMBL29032434 0.78 APEX1 (0.36) NR4A1TDP1FABP4KDM4ECTSK
SCHEMBL5058414 0.76 KMT2A (0.40) TSHRTDP1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN claimed
CN-118206507-A Selenium-containing compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-18 CN disclosed
CN-109942537-B ALDH2 agonist, preparation method and application thereof 中国人民解放军第二军医大学 2023-11-17 CN disclosed
CN-115109012-A Benzyl arylamine aldehyde dehydrogenase agonist, and synthesis method and application thereof 中国人民解放军海军军医大学 2022-09-27 CN disclosed
CN-109942537-A A kind of ALDH2 agonist, preparation method and its usage 中国人民解放军第二军医大学 2019-06-28 CN disclosed
CN-104419326-A Slurry composition for chemical mechanical polishing COWON INNOTECH INC 2015-03-18 CN disclosed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN disclosed