SCHEMBL5486858

SCHEMBL5486858

COc1ccccc1Nc1nc(Br)c(C(=O)NCc2ccc(-c3cccs3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.45
KDM4E B2RXH2 4/20 0.45
TP53 P04637 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4928462 0.90 MEN1 (0.57) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5423738 0.89 PTGDR2 (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5412989 0.87 MAPT (0.51) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5354225 0.87 MAPT (0.57) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5392676 0.84 MAPT (0.48) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4916217 0.79 MAPT (0.63) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14184689 0.79 MAPT (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5421225 0.78 GAA (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4926481 0.77 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5367089 0.77 GAA (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed