SCHEMBL28675740

SCHEMBL28675740

CCc1ccc(-n2[nH]c(=O)c3ccccc3c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.57
PLEC Q15149 1/20 0.57
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LDHA P00338 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MPI P34949 1/20 0.45
GLS O94925 1/20 0.43
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL28342515 0.84 MPI (0.67) TSHRPOLBCYP1A2ADORA3MPI
SCHEMBL28666827 0.81 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL30540389 0.81 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL31384289 0.81 TSHR (1.00) TSHRMEN1KMT2APOLBPLEC
SCHEMBL265111 0.81 TSHR (1.00) TSHRMEN1KMT2APOLBPLEC
SCHEMBL20944988 0.79 GAA (0.58) TSHRMEN1KMT2APOLBPLEC
SCHEMBL30471655 0.78 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL20945141 0.78 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL4066743 0.78 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL20945017 0.76 TSHR (0.41) TSHRMEN1KMT2APOLBPLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754558-B Method for synthesizing azobenzene through copper salt catalyzed C-N coupling reaction 桂林理工大学 2023-06-23 CN disclosed
CN-113754558-A Method for synthesizing azobenzene by catalyzing C-N coupling reaction through copper salt 桂林理工大学 2021-12-07 CN disclosed