SCHEMBL21300501

SCHEMBL21300501

Nc1cc(O)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
POLB P06746 2/20 0.64
GFER P55789 1/20 0.64
HTR6 P50406 5/20 0.61
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
PKM P14618 1/20 0.57
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL17774609 0.86 GAA (0.69) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL5156069 0.85 GAA (0.48) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL1162839 0.81 HTR6 (0.66) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL979753 0.81 POLB (0.73) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL29480329 0.81 HTR6 (0.66) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL17774701 0.81 HTR6 (0.69) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL5258855 0.79 HTR6 (0.61) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL8530981 0.79 POLB (0.64) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL14215950 0.79 POLB (0.64) GAAPOLBGFERHTR6ALDH1A1
SCHEMBL9818530 0.79 HTR6 (0.61) GAAPOLBGFERHTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019163703-A1 POLYIMIDE PRECURSOR RESIN COMPOSITION JXTGエネルギー株式会社 2019-08-29 WO disclosed