SCHEMBL29839680

SCHEMBL29839680

c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL14681538 1.00 AKR1C3 (0.39) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL20434444 0.98 AKR1C3 (0.40) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL21665679 0.96 MET (0.39) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL15713967 0.91 MAPT (0.39) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL20935632 0.91 AKR1C3 (0.37) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL15250356 0.91 MEN1 (0.46) MAPK14KDM4EMAPTMEN1KMT2A
SCHEMBL21665630 0.90 SIRT2 (0.45) AKR1C3KDM4EMAPTMEN1KMT2A
SCHEMBL25740808 0.90 PDK2 (0.34) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL22589226 0.89 AKR1C3 (0.37) AKR1C3MAPK13MAPK12MAPK11MAPK14
SCHEMBL25657064 0.89 MEN1 (0.37) AKR1C3MAPK13MAPK12MAPK11MAPK14

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-114805090-B Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2025-03-11 CN disclosed
WO-2024141881-A1 LIGHT-EMITTING DEVICE AND METHOD FOR PRODUCING LIGHT-EMITTING DEVICE 株式会社半導体エネルギー研究所 2024-07-04 WO disclosed
CN-114805090-A Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2022-07-29 CN disclosed