SCHEMBL5367089

SCHEMBL5367089

COc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)NCc2ccccc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
PTGDR2 Q9Y5Y4 4/20 0.60
MAPT P10636 7/20 0.56
KDM4E B2RXH2 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 2/20 0.54
CNR2 P34972 1/20 0.50
HPGD P15428 2/20 0.49
TP53 P04637 2/20 0.49
GLA P06280 1/20 0.49
DHODH Q02127 2/20 0.48
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5412970 0.94 PTGDR2 (0.62) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL5413651 0.93 PTGDR2 (0.63) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL5491127 0.92 GAA (0.56) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL5423738 0.89 PTGDR2 (0.54) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL4923415 0.87 ALDH1A1 (0.71) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL5354225 0.86 MAPT (0.57) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL14184689 0.86 MAPT (0.66) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL5421225 0.85 GAA (0.49) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL4402426 0.84 GAA (0.69) GAAPTGDR2MAPTKDM4ENPSR1
SCHEMBL5360478 0.84 GAA (0.69) GAAPTGDR2MAPTKDM4ENPSR1

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