SCHEMBL28527698

SCHEMBL28527698

CC(C)(C)OC(=O)N1CCCCC1Nc1cccnc1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE8B O95263 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 4/20 0.41
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UCHL1 P09936 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
NPC1 O15118 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 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
SCHEMBL4471009 0.86 MEN1 (0.46) KDM4EPDE8BMEN1KMT2AHDAC1
SCHEMBL29091778 0.83 GPR119 (0.46) POLBKDM4EMEN1KMT2AGPR119
SCHEMBL28534357 0.82 GPR119 (0.48) POLBKDM4EGPR119UCHL1
SCHEMBL6150932 0.81 LMNA (0.51) MEN1KMT2ALMNANPSR1CCNA2
SCHEMBL28530608 0.80 LMNA (0.40) PDE8BMEN1KMT2AHDAC1GPR119
SCHEMBL1198309 0.80 CCNA2 (0.55) POLBHDAC1GPR119CCNA2CDK2
SCHEMBL30006703 0.80 CCNA2 (0.55) POLBHDAC1GPR119CCNA2CDK2
SCHEMBL31358156 0.79 USP30 (0.49) POLBGPR119CCNA2CDK2PIM1
SCHEMBL30721804 0.79 CCNA2 (0.52) POLBHDAC1GPR119CCNA2CDK2
SCHEMBL29151422 0.79 CCNA2 (0.52) POLBHDAC1GPR119CCNA2CDK2

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