SCHEMBL29455656

SCHEMBL29455656

c1cncc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cccnc5)c4)c4ccccc34)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MEN1 O00255 1/20 0.56
PSIP1 O75475 1/20 0.56
AXL P30530 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP11B1 P15538 6/20 0.55
CYP11B2 P19099 5/20 0.55
CYP19A1 P11511 3/20 0.55
CYP17A1 P05093 1/20 0.55
KMO O15229 1/20 0.50
EPHX2 P34913 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
LRRK2 Q5S007 2/20 0.46
IDO1 P14902 1/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 2/20 0.46

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
SCHEMBL17227623 1.00 CYP2A6 (0.58) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL10030085 0.95 CYP11B1 (0.54) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL21250784 0.95 CYP2A6 (0.52) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL10030083 0.93 CYP2A6 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL24662782 0.93 CYP19A1 (0.51) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL17539980 0.90 CYP11B1 (0.51) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL10030096 0.90 CYP11B1 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL21250872 0.90 CYP11B1 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL21250840 0.90 CYP11B1 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL10030047 0.90 CYP11B1 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1

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
CN-117693211-A Organic electroluminescent diode and manufacturing method thereof 广东聚华印刷显示技术有限公司 2024-03-12 CN disclosed
CN-107698531-B Compound and organic electronic device thereof 上海嵘彩光电材料有限公司 2022-08-19 CN disclosed
CN-114835692-A Compound and organic electronic device thereof 上海嵘彩光电材料有限公司 2022-08-02 CN disclosed
CN-114685506-A Organic compound, light-emitting device, display substrate, and display device 京东方科技集团股份有限公司 2022-07-01 CN disclosed
CN-110571338-B Composition for organic electronic device and organic electronic device using the same 上海嵘彩光电材料有限公司 2022-03-04 CN disclosed
CN-108623546-B Compound and organic electronic device thereof 上海嵘彩光电材料有限公司 2022-03-04 CN disclosed