SCHEMBL2227222

SCHEMBL2227222

CC(NC1CCC(C#N)C1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
EPHX1 P07099 2/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 3/20 0.37
KDM1A O60341 1/20 0.36
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2227702 0.91 GAA (0.65) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL2227333 0.81 NPC1 (0.41) GAAL3MBTL1KMT2ALMNAMAPK1
SCHEMBL664938 0.80 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL27818229 0.80 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL19592437 0.76 GAA (0.62) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL7844383 0.75 MDM2 (0.38)
SCHEMBL7751819 0.74 GAA (0.73) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3668041 0.73 GAA (1.00) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL16944004 0.73 GAA (0.57) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL16944003 0.73 GAA (0.57) 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