SCHEMBL6770073

SCHEMBL6770073

CC(C)Cc1nn(-c2ccc(C(C)C)cc2)c2c1CCC(C)(C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
DHODH Q02127 1/20 0.34
PDE4A P27815 7/20 0.33
PDE4B Q07343 7/20 0.33
PDE4C Q08493 7/20 0.33
PDE4D Q08499 7/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
MGLL Q99685 1/20 0.31
NPBWR1 P48145 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6770673 0.87 CACNA2D1 (0.32) MAPTDHODHPDE4APDE4BPDE4C
SCHEMBL6776532 0.80 SRC (0.36) MAPTDHODHPDE4APDE4BPDE4C
SCHEMBL6769771 0.77 MAPT (0.37) MAPTDHODHPDE4APDE4BPDE4C
SCHEMBL7479730 0.69 OPRM1 (0.54) ALDH1A1LMNA
SCHEMBL6770582 0.68 PDE4A (0.34) MAPTDHODHPDE4APDE4BPDE4C
SCHEMBL7533976 0.67 PARP1 (0.33) MAPTDHODHMEN1KMT2APIK3CD
SCHEMBL6771854 0.66 MAPT (0.33) MAPTDHODHPDE4APDE4BPDE4C
SCHEMBL6771220 0.65 MAPT (0.33) MAPTDHODHPDE4APDE4BPDE4C
SCHEMBL7483421 0.65 DHODH (0.43) MAPTDHODHPIK3CDPIK3R2PIK3CA
SCHEMBL7537152 0.65 DHODH (0.40) MAPTDHODHMEN1KMT2ATDP1

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed