SCHEMBL28539002

SCHEMBL28539002

CC(C)(C)OC(=O)N1CCCCC1Nc1cccc(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
UCHL1 P09936 5/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
USP30 Q70CQ3 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM1A O60341 1/20 0.36
PDE8B O95263 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL30317037 0.85 SCD5 (0.37) KMT2AALDH1A1
SCHEMBL28534365 0.84 UCHL1 (0.40) KMT2AMEN1UCHL1LMNANPSR1
SCHEMBL4471009 0.82 MEN1 (0.46) KMT2AMEN1UCHL1LMNANPSR1
SCHEMBL22588129 0.81 ALDH1A1 (0.51) GPR119ALDH1A1NPC1
SCHEMBL6150932 0.80 LMNA (0.51) KMT2AMEN1LMNANPSR1ALDH1A1
SCHEMBL31285856 0.80 KDM4E (0.41) KMT2AMEN1UCHL1LMNANPSR1
SCHEMBL28530145 0.80 AR (0.43) UCHL1GPR119HSD11B1NPC1USP30
SCHEMBL28527698 0.78 POLB (0.44) KMT2AMEN1UCHL1LMNANPSR1
SCHEMBL4792558 0.74 NPC1 (0.43) KMT2ALMNANPSR1GPR119ALDH1A1
SCHEMBL31285976 0.74 ALDH1A1 (0.48) KMT2AMEN1LMNANPSR1ALDH1A1

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
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed