SCHEMBL11530429

SCHEMBL11530429

CC1(C)CC(C(N)=C(C#N)c2ccccc2)CC(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
EZH2 Q15910 6/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
RAD52 P43351 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 2/20 0.35
KDM1A O60341 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL40016 0.73 GAA (0.59) GAAEZH2KMT2AMEN1MAPK1
SCHEMBL11528820 0.73 RECQL (0.31)
SCHEMBL11528566 0.71 GAA (0.50) GAAEZH2KMT2AMEN1MAPK1
SCHEMBL11530426 0.69 EZH2 (0.47) GAAEZH2KMT2AMEN1ALOX15
SCHEMBL79975 0.66 KMT2A (0.52) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL6418982 0.66 KMT2A (0.52) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL1898420 0.66 KMT2A (0.52) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL1896538 0.65 POLB (0.47) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL14760599 0.65 POLB (0.47) KMT2AMEN1MAPK1L3MBTL1ALDH1A1
SCHEMBL11526285 0.64 ATM (0.35) GAAEZH2KMT2AMEN1L3MBTL1

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