SCHEMBL8030227

SCHEMBL8030227

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cccc(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.38
LRRK2 Q5S007 2/20 0.36
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
BDKRB2 P30411 7/20 0.35
PPIB P23284 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8033739 0.95 KMT2A (0.42) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030212 0.94 KMT2A (0.40) KMT2AMEN1GAAPARP1LRRK2
SCHEMBL27473180 0.93 KMT2A (0.37) KMT2AMEN1GAAPARP1LRRK2
SCHEMBL8031893 0.92 KMT2A (0.39) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030267 0.91 KMT2A (0.42) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8029577 0.91 KMT2A (0.40) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8036472 0.90 KMT2A (0.39) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8033932 0.90 KMT2A (0.39) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030377 0.90 KMT2A (0.39) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL8030247 0.90 KMT2A (0.39) 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