SCHEMBL2229559

SCHEMBL2229559

CCc1ccccc1NCCCC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HTT P42858 3/20 0.38
FPR1 P21462 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2229383 0.90 GAA (0.42) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3966040 0.80 POLB (0.60) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL30806170 0.80 MAPT (0.54) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10407866 0.79 POLB (0.54) POLBHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL2343034 0.78 MAPT (0.52) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10408718 0.77 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2
SCHEMBL3248990 0.77 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2
SCHEMBL5255929 0.77 POLB (0.45) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10407954 0.77 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2
SCHEMBL17307673 0.77 POLB (0.45) POLBHDAC3HDAC4HDAC1HDAC7

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