SCHEMBL5412970

SCHEMBL5412970

COc1ccccc1Nc1nc(-c2ccccc2)c(C(=O)NCc2ccc(F)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.62
GAA P10253 1/20 0.58
TP53 P04637 1/20 0.53
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR2 P34972 1/20 0.47
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
POLB P06746 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
SCHEMBL5367089 0.94 GAA (0.62) PTGDR2GAATP53MAPTKMT2A
SCHEMBL5413651 0.91 PTGDR2 (0.63) PTGDR2GAATP53MAPTKMT2A
SCHEMBL5491127 0.90 GAA (0.56) PTGDR2GAATP53MAPTKMT2A
SCHEMBL5423738 0.87 PTGDR2 (0.54) PTGDR2GAATP53MAPTKMT2A
SCHEMBL14184689 0.84 MAPT (0.66) PTGDR2GAATP53MAPTKMT2A
SCHEMBL5421225 0.83 GAA (0.49) PTGDR2GAATP53MAPTKMT2A
SCHEMBL5397042 0.83 KMT2A (0.58) PTGDR2MAPTKMT2AMEN1KDM4E
SCHEMBL4923415 0.82 ALDH1A1 (0.71) PTGDR2GAATP53MAPTKMT2A
SCHEMBL4402426 0.81 GAA (0.69) PTGDR2GAAMAPTKMT2AMEN1
SCHEMBL5360478 0.81 GAA (0.69) PTGDR2GAAMAPTKMT2AMEN1

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