SCHEMBL29397137

SCHEMBL29397137

CC[C@@H](O)CNS(=O)(=O)c1ccccc1F

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.76
SLC6A9 P48067 6/20 0.47
ADRB1 P08588 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KAT6A Q92794 3/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL18706602 1.00 GBA1 (0.76) GBA1SLC6A9ADRB1ALDH1A1TSHR
SCHEMBL16832012 1.00 GBA1 (0.76) GBA1SLC6A9ADRB1ALDH1A1TSHR
SCHEMBL16831311 0.86 GBA1 (0.68) GBA1ADRB1ALDH1A1MEN1KMT2A
SCHEMBL31494043 0.86 GBA1 (0.68) GBA1ADRB1ALDH1A1MEN1KMT2A
SCHEMBL16831398 0.86 GBA1 (0.68) GBA1ADRB1ALDH1A1MEN1KMT2A
SCHEMBL16831309 0.86 GBA1 (0.68) GBA1ADRB1ALDH1A1MEN1KMT2A
SCHEMBL22870051 0.83 GBA1 (0.52) GBA1SLC6A9ALDH1A1KMT2AKAT6A
SCHEMBL15621005 0.82 GBA1 (0.63) GBA1ALDH1A1MEN1KMT2AATM
SCHEMBL31306016 0.81 GBA1 (0.51) GBA1ALDH1A1KMT2AATMMAPT
SCHEMBL26625722 0.81 GBA1 (0.51) GBA1ALDH1A1KMT2AATMMAPT

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
CN-116669744-A Nrf2 activating compounds 千寿制药株式会社 2023-08-29 CN disclosed
WO-2022145459-A1 NRF2-ACTIVATING COMPOUND 千寿製薬株式会社 2022-07-07 WO disclosed
CN-114080389-A Nrf2 activating compound 千寿制药株式会社 2022-02-22 CN disclosed