SCHEMBL21474736

SCHEMBL21474736

C1=Cc2c([nH]c3cc4ccccc4cc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21765729 0.80 SIRT2 (0.40)
SCHEMBL454277 0.80 HTR2A (0.43) KDM4EMEN1KMT2AHSD17B10
SCHEMBL15583456 0.78 FEN1 (0.42) KDM4EMEN1MAPTKMT2ACHEK1
SCHEMBL17454816 0.77 CYP1A2 (0.43) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL13183717 0.77 CYP1A2 (0.49) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL18627138 0.75 AHR (0.42) KDM4EMAPTHSD17B10
SCHEMBL21386496 0.75
SCHEMBL23914150 0.74 KIF11 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22474355 0.74 BAZ2B (0.40)
SCHEMBL24203201 0.74 KDM4E (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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
WO-2023012711-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 EP disclosed
WO-2020071778-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE 엘티소재주식회사 2020-04-09 WO disclosed
EP-3553049-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2019-10-16 EP disclosed