SCHEMBL28969824

SCHEMBL28969824

c1ccc(-c2cccc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
CACNG2 Q9Y698 1/20 0.44
GAA P10253 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL21702890 0.91 ESR1 (0.51) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL10019158 0.90 ESR1 (0.57) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL16116622 0.89 ESR1 (0.57) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL10019150 0.89 ESR1 (0.56) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL9976967 0.88 ESR1 (0.62) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL16302979 0.88 ESR1 (0.57) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL10019140 0.88 ESR1 (0.57) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL16692193 0.88 ESR1 (0.60) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19628212 0.87 ESR1 (0.54) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19628222 0.87 ESR1 (0.54) ESR1ESR2MEN1KMT2AHSP90AA1

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-115835671-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2023-03-21 CN disclosed