SCHEMBL31363096

SCHEMBL31363096

Cc1cc(C)c2c(c1)C(C)(C)c1cc(Br)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
RAPGEF4 Q8WZA2 2/20 0.35
S100A4 P26447 1/20 0.33
PGR P06401 2/20 0.33
MALT1 Q9UDY8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PTPRC P08575 1/20 0.30
AGTR1 P30556 1/20 0.30

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
SCHEMBL1760467 0.82 PGR (0.35) PDK2PGR
SCHEMBL429929 0.80 ALDH1A1 (0.41) PDK2S100A4PGRMALT1ALDH1A1
SCHEMBL26083876 0.80 PDK2 (0.43) PDK2PGRALDH1A1MAPK1HTR2B
SCHEMBL27169587 0.80 PDK2 (0.41) PDK2RAPGEF4S100A4PGR
SCHEMBL10227297 0.78 PDK2 (0.36) PDK2S100A4PGRMALT1HTR2B
SCHEMBL204806 0.78 PDK2 (0.44) PDK2S100A4PGRMALT1HTR2B
SCHEMBL29403081 0.78 PDK2 (0.44) PDK2S100A4PGRMALT1HTR2B
SCHEMBL29587737 0.78 PDK2 (0.44) PDK2S100A4PGRMALT1HTR2B
SCHEMBL12439574 0.77 ALDH1A1 (0.38) PDK2S100A4PGRMALT1ALDH1A1
SCHEMBL18615369 0.77 ALDH1A1 (0.38) PDK2S100A4PGRMALT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250017034-A1 LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND AMINE COMPOUND FOR THE LIGHT-EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2025-01-09 US disclosed
CN-119176756-A Light-emitting element, display device, and amine compound for light-emitting element 三星显示有限公司 2024-12-24 CN disclosed