SCHEMBL6983187

SCHEMBL6983187

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)OC(C)(C)C)C(/C=C/c1ccccc1)CCCCC[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.33
MAPT P10636 7/20 0.33
POLB P06746 7/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
PSMB5 P28074 1/20 0.32
MAPK1 P28482 3/20 0.32
ATM Q13315 3/20 0.32
RECQL P46063 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
ADAM17 P78536 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL6986589 0.88 PSMB5 (0.34) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6981371 0.87 MAPT (0.32) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6986700 0.84 PSMB5 (0.36) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6942458 0.84 ADAM17 (0.37) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6943368 0.84 ADAM17 (0.37) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6983256 0.83 MAPT (0.34) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6985082 0.81 CTSS (0.35) MAPTKMT2APSMB5MAPK1ATM
SCHEMBL6983531 0.81 REN (0.41) NPSR1MAPTPOLBPSMB5MAPK1
SCHEMBL6981635 0.80 MAPT (0.35) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL6979636 0.80 ADAM17 (0.35) NPSR1MAPTPOLBKMT2AMEN1

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed