SCHEMBL6209649

SCHEMBL6209649

CC(C)C[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)N(CC1C2OC2CN1C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSK P43235 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL4043450 0.91 MAPT (0.42) MAPTNPSR1TDP1KDM4EMEN1
SCHEMBL8347480 0.91 MAPT (0.42) MAPTNPSR1TDP1KDM4EMEN1
SCHEMBL4046341 0.91 MAPT (0.42) MAPTNPSR1TDP1KDM4EMEN1
SCHEMBL4040598 0.82 CTSK (0.40) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL4039918 0.82 CTSK (0.40) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL4224431 0.76 MAPT (0.41) MAPTNPSR1TDP1KDM4EMEN1
SCHEMBL29272939 0.76 MAPT (0.61) MAPTNPSR1TDP1KDM4EMEN1
SCHEMBL29272938 0.76 MAPT (0.61) MAPTNPSR1TDP1KDM4EMEN1
SCHEMBL4043831 0.76 MAPT (0.36) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL30330579 0.74 ABCB1 (0.43) MAPTMEN1KMT2A

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed