SCHEMBL6957183

SCHEMBL6957183

C[n+]1c2ccccc2c(C(=O)Oc2ccc(CC(=O)NN)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
AOC2 O75106 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.38
PLA2G2A P14555 6/20 0.37
AOC3 Q16853 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL29349846 0.79 ACHE (0.44) RAB9ASMN1; SMN2ALDH1A1MAPTACHE
SCHEMBL8491878 0.79 ACHE (0.44) RAB9ASMN1; SMN2ALDH1A1MAPTACHE
SCHEMBL13979970 0.78 KMT2A (0.43) NPC1GAALMNAHTTALDH1A1
SCHEMBL15717658 0.78 ACHE (0.51) NPC1GAARAB9ASMN1; SMN2LMNA
SCHEMBL13005777 0.78 MAPT (0.47) NPC1GAARAB9ALMNAALDH1A1
SCHEMBL6977998 0.78 ACHE (0.34) GAALMNAALDH1A1MAPTACHE
SCHEMBL13032878 0.77 POLB (0.40) GAASMN1; SMN2LMNAALDH1A1MAPT
Iodide SCHEMBL4562669 0.76 MAPT (0.43) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4799091 0.74 SRC (0.44) GAASMN1; SMN2ALDH1A1MAPTACHE
Trifluoroacetic Acid SCHEMBL8435890 0.73 FFAR1 (0.42) LMNA

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
US-8183060-B2 comprises biotin covalently attached to a polymer that has monosaccharide or amino acid as a constituent monomer covalently attached to a luminescent substance (cyanoisoindoles, luminols, and acridinium esters); detecting a target substance at high sensitivity DAIICHI PURE CHEMICALS CO., LTD. (JP) 2012-05-22 US disclosed