SCHEMBL11535930

SCHEMBL11535930

CC1(C)CC(NC=C(C#N)C(=O)NC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
EZH2 Q15910 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL11530182 0.84 KMT2A (0.34) GAAPOLBRECQLL3MBTL1ATM
SCHEMBL11526282 0.83 L3MBTL1 (0.39) GAAPOLBRECQLL3MBTL1ATM
SCHEMBL11527436 0.81 LMNA (0.41) GAAPOLBL3MBTL1ATMALDH1A1
SCHEMBL8894378 0.81 GAA (0.50) GAAPOLBL3MBTL1EZH2ALDH1A1
SCHEMBL11530276 0.79 CYP2C9 (0.43) GAAPOLBALDH1A1KDM4ENPC1
SCHEMBL11529689 0.79 HTT (0.34) GAAPOLBRECQLL3MBTL1ATM
SCHEMBL11528816 0.78 RECQL (0.41) GAAPOLBRECQLL3MBTL1ATM
SCHEMBL3295977 0.76 RECQL (0.57) GAAPOLBRECQLL3MBTL1ATM
SCHEMBL11533860 0.75 TP53 (0.36) GAAPOLBRECQLL3MBTL1ATM
SCHEMBL9154782 0.71 GAA (0.52) GAAPOLBRECQLL3MBTL1ATM

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