SCHEMBL28049064

SCHEMBL28049064

O=[N+]([O-])c1ccc(N2CCOCC2)c(CCO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 4/20 0.55
CTSB P07858 1/20 0.54
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
RAB9A P51151 2/20 0.53
IDE P14735 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL1475834 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL28183887 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL13241732 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL29525309 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL28049120 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL13369816 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL16166514 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL3265131 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL31574149 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNACTSBMAPT
SCHEMBL31574161 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNACTSBMAPT

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 6 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-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 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
CN-105585540-A Preparation and application of novel Swern reagent UNIV ZHEJIANG TECHNOLOGY 2016-05-18 CN disclosed