SCHEMBL30009979

SCHEMBL30009979

Cc1oc2c(cc(NS(=O)(=O)c3cccc4cccnc34)c3ccccc32)c1C(=O)OCCCO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
TP53 P04637 8/20 0.56
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
KIF11 P52732 1/20 0.49
CASP6 P55212 1/20 0.49
ACLY P53396 1/20 0.47

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
SCHEMBL30009805 0.98 MAPT (0.57) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010272 0.95 MAPT (0.57) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010237 0.93 MAPT (0.67) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30009654 0.92 MAPT (0.67) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30009985 0.91 RXFP1 (0.67) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010517 0.88 MAPT (0.64) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010877 0.85 MEN1 (0.65) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010149 0.77 MAPT (0.74) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010244 0.76 MAPT (0.70) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL30010483 0.75 MAPT (0.72) MAPTTP53RXFP1MEN1KMT2A

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