SCHEMBL29664880

SCHEMBL29664880

CC1(C)c2ccccc2-c2ccc(-c3ccc(Br)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL1753743 1.00 PDK2 (0.44) PDK2ALDH1A1MAPK1SLC6A3
SCHEMBL15678831 0.97 PDK2 (0.42) PDK2ALDH1A1MAPK1SLC6A3
SCHEMBL19849935 0.95 PDK2 (0.44) PDK2ALDH1A1MAPK1SLC6A3
SCHEMBL19849936 0.94 PDK2 (0.47) PDK2ALDH1A1MAPK1SLC6A3
SCHEMBL15678826 0.94 PDK2 (0.47) PDK2ALDH1A1MAPK1SLC6A3
SCHEMBL431255 0.93 PDK2 (0.49) PDK2
SCHEMBL30631789 0.93 PDK2 (0.49) PDK2
SCHEMBL431791 0.93 PDK2 (0.49) PDK2
SCHEMBL23776611 0.91 PDK2 (0.39) PDK2ALDH1A1MAPK1SLC6A3
SCHEMBL12745160 0.91 PDK2 (0.42) PDK2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596065-B1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2024-12-25 EP disclosed
CN-109896965-B Novel compound and organic light emitting device comprising the same 东进世美肯株式会社 2023-08-29 CN disclosed
CN-115477587-A Organic compound, application thereof and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2022-12-16 CN disclosed
CN-109476597-B Novel compound and organic light-emitting element using same 株式会社LG化学 2022-09-20 CN disclosed
EP-3775099-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-08-24 EP disclosed
CN-114512618-A Organic light emitting device 北京鼎材科技有限公司 2022-05-17 CN disclosed