SCHEMBL30009795

SCHEMBL30009795

CCOC(=O)C(C(C)=O)c1cc(NS(=O)(=O)c2cccc3cccnc23)c2ccccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
GAA P10253 2/20 0.49
PGAM1 P18669 1/20 0.49
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
KCNA5 P22460 1/20 0.47
TSHR P16473 1/20 0.46
SLC40A1 Q9NP59 4/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL28384243 1.00 KEAP1 (0.57) KEAP1NFE2L2GAAPGAM1MEN1
SCHEMBL30009985 0.76 RXFP1 (0.67) KEAP1NFE2L2GAAMEN1KMT2A
SCHEMBL13510393 0.75 KEAP1 (0.66) KEAP1NFE2L2GAAPGAM1MEN1
SCHEMBL7571584 0.74 SLC40A1 (0.66) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL13510067 0.73 MEN1 (0.69) KEAP1NFE2L2GAAMEN1KMT2A
SCHEMBL29540765 0.72 GAA (0.71) KEAP1NFE2L2GAAMEN1KMT2A
SCHEMBL22234047 0.72 GAA (0.71) KEAP1NFE2L2GAAMEN1KMT2A
SCHEMBL13509977 0.72 MEN1 (0.81) KEAP1NFE2L2GAAPGAM1MEN1
SCHEMBL7569885 0.72 ALDH1A1 (0.59) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL30009654 0.72 MAPT (0.67) KEAP1NFE2L2MEN1KMT2AALDH1A1

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
CN-111067889-B Application of 2-methyl naphtho [1,2-b ] furan compound in preparation of medicine related to diabetic nephropathy 徐州医科大学 2022-11-18 CN disclosed