SCHEMBL11528566

SCHEMBL11528566

COC(=O)C(=C(N)C1CC(C)(C)NC(C)(C)C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
EZH2 Q15910 6/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11533254 0.75 L3MBTL1 (0.35) GAAEZH2KMT2AMEN1POLB
SCHEMBL40016 0.74 GAA (0.59) GAAEZH2KMT2AMEN1MAPK1
SCHEMBL11530429 0.71 GAA (0.43) GAAEZH2KMT2AMEN1MAPK1
SCHEMBL28894376 0.71 TSHR (0.60) KMT2AMEN1MAPK1TSHRKDM4E
SCHEMBL9639714 0.71 TSHR (0.60) KMT2AMEN1MAPK1TSHRKDM4E
SCHEMBL11528562 0.70 EZH2 (0.51) GAAEZH2KMT2AMEN1POLB
SCHEMBL3736621 0.70 TSHR (0.50) KMT2AMEN1MAPK1POLBTSHR
SCHEMBL11526285 0.70 ATM (0.35) GAAEZH2KMT2AMEN1PKM
SCHEMBL11532347 0.69 EZH2 (0.56) GAAEZH2KMT2AMEN1POLB
SCHEMBL11445759 0.67 GAA (0.51) GAAEZH2KMT2APOLBTSHR

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