SCHEMBL11528816

SCHEMBL11528816

CC1(C)CC(NC=C(C#N)C#N)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
GAA P10253 3/20 0.37
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
EZH2 Q15910 3/20 0.32
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11535930 0.78 GAA (0.40) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL11526282 0.78 L3MBTL1 (0.39) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL11530426 0.76 EZH2 (0.47) GAAPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL11530182 0.74 KMT2A (0.34) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL11530276 0.74 CYP2C9 (0.43) GAAPOLBALDH1A1LMNAMAPT
SCHEMBL11529689 0.74 HTT (0.34) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL11531594 0.73 POLB (0.40) RECQLGAAPOLBL3MBTL1ATM
SCHEMBL22702190 0.71 RECQL (0.39) RECQLGAAPOLBL3MBTL1ALDH1A1
SCHEMBL22702079 0.71 GAA (0.39) RECQLGAAPOLBL3MBTL1ALDH1A1
SCHEMBL11527436 0.71 LMNA (0.41) GAAPOLBL3MBTL1ATMALDH1A1

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