SCHEMBL8020864

SCHEMBL8020864

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(N(C)C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PPIB P23284 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
LRRK2 Q5S007 1/20 0.36
BDKRB2 P30411 5/20 0.36
EPHX2 P34913 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL8030385 0.94 BDKRB2 (0.41) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8036825 0.92 BDKRB2 (0.42) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8020963 0.91 KMT2A (0.41) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8030026 0.91 BDKRB2 (0.43) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8020734 0.91 KMT2A (0.40) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8030135 0.90 KMT2A (0.39) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8036298 0.90 KMT2A (0.42) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8032087 0.90 KMT2A (0.38) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8033965 0.90 KMT2A (0.42) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8036472 0.89 KMT2A (0.39) KMT2AGAAMEN1MAPK1NTSR1

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed