SCHEMBL8033965

SCHEMBL8033965

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 1/20 0.42
PPIB P23284 1/20 0.37
MAPK1 P28482 2/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
BDKRB2 P30411 5/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL8036298 0.94 KMT2A (0.42) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8020963 0.94 KMT2A (0.41) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8020734 0.92 KMT2A (0.40) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8030385 0.91 BDKRB2 (0.41) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8036472 0.90 KMT2A (0.39) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8020864 0.90 KMT2A (0.39) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8036825 0.88 BDKRB2 (0.42) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL27488779 0.88 KMT2A (0.37) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8030207 0.87 KMT2A (0.44) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8030026 0.87 BDKRB2 (0.43) KMT2AMEN1GAAPPIBMAPK1

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