SCHEMBL21868071

SCHEMBL21868071

CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cc(-c3ncc4ccccc4n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 2/20 0.34
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
NPC1 O15118 8/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
NR2F2 P24468 1/20 0.31
MEN1 O00255 1/20 0.30
PDK2 Q15119 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
SCHEMBL24293099 0.95 CYP1A2 (0.46) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL24646889 0.93 CYP1A2 (0.47) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL24293101 0.91 CYP1A2 (0.46) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL21868362 0.90 CYP1A2 (0.48) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL24905246 0.90 CYP1A2 (0.47) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL24648296 0.88 CYP1A2 (0.48) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL21868254 0.87 CYP1A2 (0.43) CYP1A2MAOAMAOB
SCHEMBL24648287 0.84 CYP1A2 (0.48) CYP1A2LCKKDRJAK3MAPK14
SCHEMBL14508260 0.82 CYP1A2 (0.52) CYP1A2MAOAMAOBNPC1RAB9A
SCHEMBL14508248 0.82 CYP1A2 (0.52) CYP1A2MAOAMAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed