SCHEMBL27488694

SCHEMBL27488694

O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.74
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
HDAC1 Q13547 5/20 0.68
GSK3B P49841 1/20 0.68
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
MAOB P27338 1/20 0.66
HDAC3 O15379 4/20 0.65
HDAC4 P56524 4/20 0.65
HDAC7 Q8WUI4 4/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC10 Q969S8 4/20 0.65
HDAC11 Q96DB2 4/20 0.65
HDAC8 Q9BY41 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
HDAC9 Q9UKV0 4/20 0.65
HDAC5 Q9UQL6 4/20 0.65
KCNH2 Q12809 1/20 0.65
MMP9 P14780 1/20 0.63

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
SCHEMBL27488695 1.00 SIRT2 (0.74) SIRT2MEN1KMT2AHDAC1GSK3B
SCHEMBL798186 0.92 MAOB (0.79) SIRT2MEN1KMT2AHDAC1GSK3B
SCHEMBL798226 0.92 MAOB (0.79) SIRT2MEN1KMT2AHDAC1GSK3B
SCHEMBL30753637 0.92 MAOB (0.79) SIRT2MEN1KMT2AHDAC1GSK3B
SCHEMBL4427822 0.87 PTGS2 (0.80) SIRT2MEN1KMT2AHDAC1GSK3B
N-Cinnamoyl Serotonin SCHEMBL29593853 0.87 MAOB (0.87) SIRT2ALDH1A1MAPTMAOBCYP1A2
N-Cinnamoyl Serotonin SCHEMBL31276875 0.87 MAOB (0.87) SIRT2ALDH1A1MAPTMAOBCYP1A2
N-Cinnamoyl Serotonin SCHEMBL471939 0.87 MAOB (0.87) SIRT2ALDH1A1MAPTMAOBCYP1A2
N-Cinnamoyl Serotonin SCHEMBL471940 0.87 MAOB (0.87) SIRT2ALDH1A1MAPTMAOBCYP1A2
SCHEMBL28015276 0.87 PTGS2 (0.80) SIRT2MEN1KMT2AHDAC1GSK3B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166637-C Antibacterial activity, induction, separation and synthesis of N-acyltryptamine derivative as plant protecting chemical 中国农业大学 2004-09-15 CN claimed
CN-1365971-A Antibacterial activity, induction, separation and synthesis of N-acyltryptamine derivative as plant protecting chemical CHINESE AGRICULTRAL UNIV (CN) 2002-08-28 CN claimed
CN-116199756-B OsMYB44 gene from rice and application thereof 海南大学 2024-03-08 CN disclosed
CN-116199756-A OsMYB44 gene from rice and application thereof 海南大学 2023-06-02 CN disclosed
CN-115558686-A Method for synthesizing cinnamamide derivatives on line based on continuous flow bioreactor 浙江工业大学 2023-01-03 CN disclosed
CN-1166637-C Antibacterial activity, induction, separation and synthesis of N-acyltryptamine derivative as plant protecting chemical 中国农业大学 2004-09-15 CN disclosed
CN-1365971-A Antibacterial activity, induction, separation and synthesis of N-acyltryptamine derivative as plant protecting chemical CHINESE AGRICULTRAL UNIV (CN) 2002-08-28 CN disclosed