SCHEMBL2228026

SCHEMBL2228026

CC(NC1CC=C(C#N)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX1 P07099 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
DRD3 P35462 2/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
CTSL P07711 1/20 0.35
RECQL P46063 1/20 0.35
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PLK1 P53350 2/20 0.33
CHRM2 P08172 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
SCHEMBL2227259 0.86 GAA (0.55) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL2276782 0.83 NPC1 (0.41) GAAL3MBTL1LMNAKMT2ADRD3
SCHEMBL2228847 0.75 DRD3 (0.39) DRD3GRM5
SCHEMBL3668041 0.73 GAA (1.00) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL27818229 0.73 GAA (0.85) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL664938 0.73 GAA (0.85) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL3671016 0.72 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL21104687 0.72 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL3665297 0.72 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1
SCHEMBL28091017 0.72 GAA (0.96) GAAL3MBTL1EPHX1LMNAMEN1

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
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed