SCHEMBL8032079

SCHEMBL8032079

COc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MLYCD O95822 2/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
POLB P06746 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
SCHEMBL8030544 0.94 KMT2A (0.41) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8036358 0.91 KMT2A (0.45) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8020820 0.90 KMT2A (0.40) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8031941 0.90 KMT2A (0.41) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8031935 0.89 KMT2A (0.40) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8033876 0.88 KMT2A (0.40) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8031929 0.86 NOTUM (0.42) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8030575 0.86 KMT2A (0.41) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL8032129 0.85 KMT2A (0.44) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL17336383 0.83 MTNR1A (0.48) MTNR1AMTNR1BGFERHSD17B10L3MBTL1

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