SCHEMBL28200380

SCHEMBL28200380

CC(C)(C)c1ccc(-c2nc3ccccc3n2-c2cccc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRD1 P41143 2/20 0.41
OPRM1 P35372 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
ADORA2A P29274 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL28161173 0.86 ESR2 (0.53) MAPTESR1ESR2LMNATSHR
SCHEMBL8512875 0.86 ESR1 (0.58) MAPTESR1ESR2LMNATSHR
SCHEMBL15064151 0.86 ESR1 (0.58) MAPTESR1ESR2LMNAHSD17B10
SCHEMBL26017755 0.84 ESR2 (0.60) MAPTESR1ESR2LMNAHSD17B10
SCHEMBL20776033 0.81 ESR1 (0.53) MAPTESR1ESR2LMNAHSD17B10
SCHEMBL19374106 0.80 ESR1 (0.67) MAPTESR1ESR2HSD17B10MAPK1
SCHEMBL14947867 0.80 ESR2 (0.55) MAPTESR1ESR2MAPK1HTT
SCHEMBL16116627 0.80 ESR1 (0.58) MAPTESR1ESR2LMNATSHR
SCHEMBL13784103 0.79 ESR1 (0.51) MAPTESR1ESR2LMNAMAPK1
SCHEMBL25752070 0.79 ALDH1A1 (0.53) MAPTESR1ESR2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107540663-B Soluble bipolar host material with high glass transition temperature, and preparation and application thereof 华南理工大学 2020-04-28 CN claimed
CN-107540663-A Soluble high glass-transition temperature bipolar host material and its preparation and application 华南理工大学 2018-01-05 CN claimed
CN-107540663-B Soluble bipolar host material with high glass transition temperature, and preparation and application thereof 华南理工大学 2020-04-28 CN disclosed
CN-107540663-B Soluble bipolar host material with high glass transition temperature, and preparation and application thereof 华南理工大学 2020-04-28 CN disclosed
CN-107540663-A Soluble high glass-transition temperature bipolar host material and its preparation and application 华南理工大学 2018-01-05 CN disclosed