SCHEMBL2227702

SCHEMBL2227702

CC(NC1CCC(C#N)CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 3/20 0.40
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
RORC P51449 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
NPY1R P25929 1/20 0.35

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
SCHEMBL2227222 0.91 GAA (0.57) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL27818229 0.86 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL664938 0.86 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL2228196 0.80 NPC1 (0.43) GAAL3MBTL1KMT2AMAPK1LMNA
SCHEMBL7751819 0.80 GAA (0.73) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3668041 0.79 GAA (1.00) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3665477 0.78 GAA (0.71) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL21919785 0.78 GAA (0.71) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3671016 0.78 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL21104687 0.78 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A

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