SCHEMBL30159243

SCHEMBL30159243

[2H]C([2H])([2H])c1ccccc1-n1c2ccccc2c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
CASP3 P42574 1/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
DNM1 Q05193 1/20 0.33
KRAS P01116 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL18540682 0.89 TSPO (0.44) TSPOMEN1KMT2ARAD52ALDH1A1
SCHEMBL3299162 0.84 CASP3 (0.45) TSPOKMT2AALDH1A1MAPTCASP3
SCHEMBL27120040 0.80 TSHR (0.41) TSPOALDH1A1ACHEBCHECASP3
SCHEMBL19269510 0.78 ACHE (0.40) TSPOMEN1KMT2AALDH1A1MAPT
SCHEMBL28842677 0.77 TSPO (0.41) TSPOMEN1KMT2ARAD52ALDH1A1
SCHEMBL19163226 0.77 TSPO (0.41) TSPOMEN1KMT2ARAD52ALDH1A1
SCHEMBL490271 0.77 TSPO (0.41) TSPOMEN1KMT2ARAD52ALDH1A1
SCHEMBL29476073 0.77 TSPO (0.41) TSPOMEN1KMT2ARAD52ALDH1A1
SCHEMBL27119982 0.77 TSPO (0.41) TSPOMEN1KMT2ARAD52ALDH1A1
SCHEMBL21636110 0.75 ALDH1A1 (0.47) ALDH1A1MAPTCASP3L3MBTL1HTT

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-115717067-B Phosphorescent organic electroluminescent material and application thereof 北京燕化集联光电技术有限公司 2025-02-18 CN disclosed
CN-115873591-A Phosphorescent organic electroluminescent material and luminescent device 北京云基科技有限公司 2023-03-31 CN disclosed
CN-115717067-A Phosphorescent organic electroluminescent material and application thereof 北京燕化集联光电技术有限公司 2023-02-28 CN disclosed