SCHEMBL30008266

SCHEMBL30008266

O=C(CCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.74
KMT2A Q03164 4/20 0.60
PKM P14618 1/20 0.57
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
PAX8 Q06710 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GSK3B P49841 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
ALOX5 P09917 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL908478 0.87 PKM (0.75) HSD11B1KMT2APKMPAX8ALDH1A1
SCHEMBL6908652 0.85 HSD11B1 (1.00) HSD11B1KMT2APKMCES2CES1
SCHEMBL27933117 0.83 HSD11B1 (1.00) HSD11B1KMT2APAX8LMNAMAPT
SCHEMBL7861808 0.82 HTT (0.57) HSD11B1KMT2APKMALDH1A1MAPT
SCHEMBL4477185 0.81 CES1 (0.70) HSD11B1KMT2ACES2CES1ALDH1A1
SCHEMBL28538245 0.81 HSD11B1 (0.91) HSD11B1PKMCES2CES1ALDH1A1
SCHEMBL29275338 0.80 HSD11B1 (0.81) HSD11B1KMT2APAX8ALDH1A1GSK3B
SCHEMBL29275340 0.79 HSD11B1 (1.00) HSD11B1KMT2APAX8ALDH1A1MAPT
SCHEMBL29275367 0.79 HSD11B1 (1.00) HSD11B1KMT2APAX8MAPK1
SCHEMBL27933084 0.79 HSD11B1 (1.00) HSD11B1KMT2APAX8ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197108-B Preparation method of gamma-ketosulfone compound 南华大学 2023-11-28 CN disclosed
CN-115197108-A Preparation method of gamma-ketosulfone compound 南华大学 2022-10-18 CN disclosed