SCHEMBL28110274

SCHEMBL28110274

Brc1ccc2c(c1)C(c1ccccc1)C=C1C2=Nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK1 P06493 4/20 0.33
CCNB1 P14635 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CCNB2 O95067 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
G6PD P11413 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.32
S100A4 P26447 1/20 0.31

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
SCHEMBL2975608 0.71 MEN1 (0.36) MEN1KMT2ALMNAPTPRC
SCHEMBL2965503 0.66 MEN1 (0.35) MEN1KMT2AALDH1A1LMNANPY1R
SCHEMBL28670216 0.64 TDP1 (0.39) GSK3AGSK3BCDK5CDK5R1CCNE1
SCHEMBL14701534 0.63 MEN1 (0.42) GSK3AGSK3BCDK5MEN1KMT2A
SCHEMBL20869346 0.62 MEN1 (0.43) GSK3AGSK3BCDK5MEN1KMT2A
SCHEMBL21174548 0.62 MEN1 (0.43) GSK3AGSK3BCDK5MEN1KMT2A
SCHEMBL30441109 0.62 MEN1 (0.43) GSK3AGSK3BCDK5MEN1KMT2A
SCHEMBL2962283 0.62 MAPK1 (0.39) MEN1KMT2AALDH1A1PTPRC
SCHEMBL6762451 0.62 ALDH1A1 (0.36) ALDH1A1LMNAHPGDPTPRC
SCHEMBL28055879 0.61 NPC1 (0.42) MEN1KMT2AALDH1A1HPGDPTPRC

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-106008138-A Organic electroluminescent material, application and luminescent device 中节能万润股份有限公司 2016-10-12 CN disclosed