SCHEMBL30009985

SCHEMBL30009985

CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc3cccnc13)c1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.67
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
FNTA P49354 1/20 0.64
FNTB P49356 1/20 0.64
MAPT P10636 9/20 0.60
TP53 P04637 8/20 0.60
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
ACLY P53396 1/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
KIF11 P52732 1/20 0.52
CASP6 P55212 1/20 0.52
KEAP1 Q14145 1/20 0.52

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
SCHEMBL30009654 0.94 MAPT (0.67) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL30010237 0.92 MAPT (0.67) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL30010272 0.92 MAPT (0.57) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL30010517 0.92 MAPT (0.64) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL30009979 0.91 MAPT (0.58) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL30009805 0.90 MAPT (0.57) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL30010877 0.89 MEN1 (0.65) RXFP1MEN1KMT2AFNTAFNTB
SCHEMBL7571584 0.79 SLC40A1 (0.66) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL7569885 0.77 ALDH1A1 (0.59) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL28384243 0.76 KEAP1 (0.57) MEN1KMT2AMAPTALDH1A1LMNA

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