SCHEMBL5360478

SCHEMBL5360478

COc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)O)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
PTGDR2 Q9Y5Y4 5/20 0.67
MAPT P10636 6/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
DHODH Q02127 2/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
ADORA2B P29275 1/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL4402426 0.93 GAA (0.69) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL14345630 0.86 DHODH (0.72) GAAPTGDR2KMT2AMEN1DHODH
SCHEMBL4924626 0.85 MAPT (0.76) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL5367089 0.84 GAA (0.62) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL5360442 0.84 MAPT (0.61) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL5412970 0.81 PTGDR2 (0.62) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL14345713 0.81 RAB9A (0.65) PTGDR2MAPTKMT2AMEN1ALDH1A1
SCHEMBL14345640 0.81 MAPT (0.57) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL5413651 0.80 PTGDR2 (0.63) GAAPTGDR2MAPTKMT2AMEN1
SCHEMBL5491127 0.79 GAA (0.56) GAAPTGDR2MAPTKMT2AMEN1

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 2 patents. 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
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 disclosed