SCHEMBL2227259

SCHEMBL2227259

CC(NC1CC=C(C#N)C1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.37
EPHX1 P07099 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SMPD1 P17405 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 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
SCHEMBL2228026 0.86 GAA (0.56) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL28794976 0.73 GRM5 (0.35) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL3668041 0.72 GAA (1.00) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL664938 0.71 GAA (0.85) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL27818229 0.71 GAA (0.85) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL2227702 0.71 GAA (0.65) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL21104687 0.71 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3671016 0.71 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL3665297 0.71 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL28091017 0.71 GAA (0.96) GAAL3MBTL1MEN1KMT2APOLB

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