SCHEMBL1630359

SCHEMBL1630359

CC(C)(C)C(NC(=O)O)c1ncccc1CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
GAA P10253 1/20 0.34
CTSA P10619 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F2 P00734 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL12725249 0.87 MEN1 (0.43) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1630882 0.86 MEN1 (0.39) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL4112138 0.85 ADORA2A (0.43) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1855064 0.85 MEN1 (0.42) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL13944318 0.85 MEN1 (0.44) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL12724884 0.85 ADORA2A (0.44) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL12725250 0.84 NPC1 (0.42) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1632021 0.84 MAPT (0.43) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL1630422 0.84 KDM4E (0.43) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL4112136 0.84 MEN1 (0.42) MEN1MAPTKMT2AL3MBTL1KDM4E

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
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed