SCHEMBL11526285

SCHEMBL11526285

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK10 P53779 1/20 0.31
IDO1 P14902 1/20 0.31
EZH2 Q15910 3/20 0.31
MAPT P10636 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL11530280 0.85 ALDH1A1 (0.41) L3MBTL1MEN1KMT2AMAPTGAA
SCHEMBL11533254 0.80 L3MBTL1 (0.35) ATML3MBTL1MEN1PKMKMT2A
SCHEMBL7475763 0.75 ATM (0.45) ATML3MBTL1MEN1PKMKMT2A
SCHEMBL2033235 0.75 ATM (0.45) ATML3MBTL1MEN1PKMKMT2A
SCHEMBL11527442 0.75 GAA (0.33) KMT2AGAA
SCHEMBL11528820 0.74 RECQL (0.31)
SCHEMBL11532347 0.71 EZH2 (0.56) ATML3MBTL1MEN1KMT2AEZH2
SCHEMBL11528566 0.70 GAA (0.50) L3MBTL1MEN1PKMKMT2AEZH2
SCHEMBL11308839 0.69 IDO1 (0.40) MAPK10IDO1MAPT
SCHEMBL11308841 0.69 IDO1 (0.40) MAPK10IDO1MAPT

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