SCHEMBL28670216

SCHEMBL28670216

Brc1ccc2c(c1)C1=Nc3ccccc3C1=CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3B P49841 7/20 0.36
GSK3A P49840 5/20 0.36
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
TRPA1 O75762 1/20 0.36
S100A4 P26447 1/20 0.36
CDK1 P06493 9/20 0.33
PTPRC P08575 1/20 0.33
CCNB1 P14635 8/20 0.33
CCNB2 O95067 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
FLT3 P36888 1/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL214039 0.82 IDO1 (0.38) TDP1L3MBTL1CCNE1CDK2IDO1
SCHEMBL2972504 0.73 TDP1 (0.42) TDP1L3MBTL1CDK2PTPRCFLT3
SCHEMBL2967627 0.69 TDP1 (0.40) TDP1L3MBTL1CDK1PTPRCCCNB1
SCHEMBL17276313 0.68 TDP1 (0.42) TDP1L3MBTL1PTPRC
SCHEMBL6198719 0.65 ALDH1A1 (0.43) TDP1L3MBTL1PTPRCLMNAGAA
SCHEMBL28146373 0.65 IDO1 (0.49) L3MBTL1GSK3BPTPRCIDO1LMNA
SCHEMBL19873102 0.65 IDO1 (0.41) L3MBTL1IDO1LMNAPOLBGAA
SCHEMBL28110274 0.64 GSK3A (0.34) L3MBTL1GSK3BGSK3ACDK5CDK5R1
SCHEMBL15854676 0.64 BIRC5 (0.52) MAP4K5
SCHEMBL2973403 0.64 KMT2A (0.38) TDP1L3MBTL1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113666913-B Organic compound and application thereof in organic light-emitting field 北京鼎材科技有限公司 2024-09-06 CN disclosed
CN-116332868-A Organic compound, and electronic component and electronic device including the same 陕西莱特光电材料股份有限公司 2023-06-27 CN disclosed
CN-113666913-A Organic compound and application thereof in organic light-emitting field 北京鼎材科技有限公司 2021-11-19 CN disclosed