SCHEMBL8036358

SCHEMBL8036358

CN(C(=O)COc1ccccc1N(CC(=O)N(C)c1ccccc1)C(=O)CNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
NTSR1 P30989 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOTUM Q6P988 1/20 0.39
MLYCD O95822 2/20 0.38
PPIB P23284 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8031929 0.94 NOTUM (0.42) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8031941 0.94 KMT2A (0.41) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8020820 0.93 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030575 0.92 KMT2A (0.41) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030544 0.92 KMT2A (0.41) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8031935 0.92 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8032079 0.91 KMT2A (0.42) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8033757 0.90 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030464 0.85 SIGMAR1 (0.38) NPSR1PPIBSIGMAR1
SCHEMBL8033876 0.83 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1

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 2 patents. 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
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed