SCHEMBL30009657

SCHEMBL30009657

O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccc2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
MMP2 P08253 2/20 0.58
POLB P06746 1/20 0.58
BRD4 O60885 1/20 0.57
PGAM1 P18669 1/20 0.56
ATM Q13315 1/20 0.56
SLC40A1 Q9NP59 4/20 0.55
NFKBIA P25963 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL28389279 1.00 GAA (0.73) GAAMEN1KMT2ATDP1KDM4E
SCHEMBL22234047 0.92 GAA (0.71) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL29540765 0.92 GAA (0.71) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL22252009 0.84 GAA (0.60) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL3258816 0.83 HCRTR1 (0.67) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL13510393 0.81 KEAP1 (0.66) GAAMEN1KMT2ATDP1KDM4E
SCHEMBL13509802 0.81 PGAM1 (0.60) GAAMEN1KMT2ATDP1KDM4E
SCHEMBL3984153 0.80 MMP2 (0.65) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL1507919 0.80 SLC40A1 (0.76) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL30854809 0.80 SLC40A1 (0.76) GAAMEN1KMT2ATDP1ALDH1A1

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