SCHEMBL11528569

SCHEMBL11528569

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
EZH2 Q15910 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 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
SCHEMBL7475763 0.77 ATM (0.45) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL2033235 0.77 ATM (0.45) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL77511 0.71 RECQL (0.55) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL9472885 0.70 RECQL (0.46) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL29453034 0.69 RECQL (0.53) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL11528816 0.69 RECQL (0.41) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL8892298 0.69 GAA (0.54) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL3295977 0.69 RECQL (0.57) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL10525290 0.69 RECQL (0.57) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL13297934 0.69 RECQL (0.88) RECQLGAAPOLBL3MBTL1ATM

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
US-4140673-A REACTING 4-AMINO-PIPERIDINES WITH ENOLIC ETHERS BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed