SCHEMBL27488779

SCHEMBL27488779

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
PPIB P23284 1/20 0.35
MAPK1 P28482 2/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
BDKRB2 P30411 3/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL27555927 0.96 KMT2A (0.37) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL27489100 0.93 KMT2A (0.37) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8036472 0.93 KMT2A (0.39) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL27555925 0.92 KMT2A (0.36) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8020734 0.91 KMT2A (0.40) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL27473180 0.91 KMT2A (0.37) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8029986 0.89 KMT2A (0.40) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8020963 0.89 KMT2A (0.41) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8031893 0.88 KMT2A (0.39) KMT2AMEN1GAAPPIBMAPK1
SCHEMBL8033739 0.88 KMT2A (0.42) 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
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed