SCHEMBL6609290

SCHEMBL6609290

CCOP(=O)(Cc1ccc(NC(=O)CCc2sc(NC(=O)c3ccccn3)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AGER Q15109 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
PLTP P55058 1/20 0.39

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
SCHEMBL5212166 0.91 PTGDR2 (0.54) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6608445 0.91 PLTP (0.47) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5210754 0.90 MAPT (0.44) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5207488 0.88 MAPT (0.40) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5212864 0.87 PTGDR2 (0.43) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5214026 0.87 ALDH1A1 (0.41) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5212184 0.86 MAPT (0.59) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6611692 0.86 MAPT (0.38) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5210337 0.86 PTGDR2 (0.42) PTGDR2MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5214955 0.86 PTGDR2 (0.46) PTGDR2MAPTKMT2AMEN1SMN1; 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
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed