SCHEMBL8030447

SCHEMBL8030447

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cc(C)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
GAA P10253 1/20 0.37
BDKRB2 P30411 6/20 0.35
MAPK1 P28482 2/20 0.35
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
PPIB P23284 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
SCHEMBL8029977 0.94 KMT2A (0.38) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8033932 0.94 KMT2A (0.39) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8031893 0.93 KMT2A (0.39) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8033739 0.93 KMT2A (0.42) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8032081 0.91 KMT2A (0.38) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8030377 0.91 KMT2A (0.39) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8036472 0.91 KMT2A (0.39) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8029577 0.91 KMT2A (0.40) KMT2AMEN1GAABDKRB2MAPK1
SCHEMBL8030634 0.90 KMT2A (0.36) KMT2AMEN1BDKRB2MAPK1HTT
SCHEMBL8020517 0.88 KMT2A (0.40) KMT2AMEN1GAABDKRB2MAPK1

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