SCHEMBL11533860

SCHEMBL11533860

CCCCOC(=O)C(C#N)=CNC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
EZH2 Q15910 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2C9 P11712 1/20 0.32
DNM1 Q05193 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL11530276 0.88 CYP2C9 (0.43) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL11526282 0.82 L3MBTL1 (0.39) MEN1KMT2APOLBRECQLPKM
SCHEMBL11527436 0.80 LMNA (0.41) TP53MEN1KMT2APOLBSMN1; SMN2
SCHEMBL11535930 0.75 GAA (0.40) POLBRECQLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11529689 0.73 HTT (0.34) KMT2APOLBRECQLGAAEZH2
SCHEMBL7743874 0.72 TP53 (0.49) TP53MEN1KMT2APOLBMAPT
SCHEMBL7547816 0.72 TP53 (0.49) TP53MEN1KMT2APOLBMAPT
SCHEMBL11530182 0.71 KMT2A (0.34) KMT2APOLBRECQLALDH1A1GAA
SCHEMBL11528816 0.70 RECQL (0.41) MEN1KMT2APOLBMAPTRECQL
SCHEMBL7707530 0.70 NAAA (0.41) MEN1KMT2APOLBMAPTRECQL

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