SCHEMBL28049070

SCHEMBL28049070

O=[N+]([O-])c1c(CCO)cccc1C1COCCN1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31

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 0.82 GPR35 (0.42) PRKACAPRKACGPRKACB
SCHEMBL27972715 0.80 TSHR (0.37) PRKACAPRKACGPRKACB
SCHEMBL28049067 0.77 CTSK (0.33) PRKACAPRKACGPRKACB
SCHEMBL28543912 0.75 PRKACA (0.32) PRKACAPRKACGPRKACB
SCHEMBL27181516 0.73 ADRA2A (0.36)
SCHEMBL28542023 0.73
SCHEMBL27564899 0.72 TDP1 (0.46)
SCHEMBL28539208 0.70 SIRT2 (0.36)
Ammonia Solution, Strong SCHEMBL5982581 0.70 TSHR (0.46)
SCHEMBL1177526 0.70 CTSB (0.36) PRKACAPRKACGPRKACB

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-105585540-B Preparation and application of Swern reagent 浙江工业大学 2017-09-26 CN claimed
CN-105585540-B Preparation and application of Swern reagent 浙江工业大学 2017-09-26 CN disclosed
CN-105585540-B Preparation and application of Swern reagent 浙江工业大学 2017-09-26 CN disclosed
CN-105585540-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 CN disclosed