SCHEMBL17998722

SCHEMBL17998722

c1ccc(-c2ccc3[nH]c4ccc(-c5ccc6ccccc6c5)cc4c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.56
▸ CCND1 P24385 2/20 0.56
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HTR2B P41595 1/20 0.48
▸ HTR5A P47898 1/20 0.48
▸ DYRK3 O43781 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ DYRK2 Q92630 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47

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
SCHEMBL29674933 1.00 CDK4 (0.56) CDK4CCND1ESR1ESR2NPC1
SCHEMBL30808081 0.94 ESR1 (0.50) CDK4CCND1ESR1ESR2NPC1
SCHEMBL29175270 0.94 ESR1 (0.50) CDK4CCND1ESR1ESR2NPC1
SCHEMBL31450477 0.91 HTR2B (0.57) CDK4CCND1ESR1ESR2HTR2B
SCHEMBL23155062 0.91 CDK4 (0.54) CDK4CCND1ESR1ESR2NPC1
SCHEMBL18028382 0.89 AHR (0.55) CDK4CCND1ESR1ESR2HTR2B
SCHEMBL22293415 0.89 PDE9A (0.47) CDK4CCND1ESR1ESR2NPC1
SCHEMBL3365890 0.88 CDK4 (0.57) CDK4CCND1ESR1ESR2NPC1
SCHEMBL12001022 0.88 CDK4 (0.57) CDK4CCND1ESR1ESR2NPC1
SCHEMBL19041639 0.88 CDK4 (0.57) CDK4CCND1ESR1ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110010773-B Luminous layer for adjusting carrier mobility and organic electroluminescent device 固安鼎材科技有限公司 2023-08-18 — — CN disclosed
CN-107840834-B Benzopyrene compound and application thereof 北京鼎材科技有限公司 2022-10-04 — — CN disclosed
CN-109962166-B Organic electroluminescent device and preparation method thereof 固安鼎材科技有限公司 2022-06-07 — — CN disclosed
CN-109309166-B Organic electroluminescent device and anthracene compound containing 2,6,9, 10-tetra-substitution 北京鼎材科技有限公司 2022-05-20 — — CN disclosed
CN-109836421-B A compound of general formula and its application 北京鼎材科技有限公司 2021-09-10 — — CN disclosed
CN-108623526-B Anthracene substituted derivative and application thereof 北京鼎材科技有限公司 2021-03-16 — — CN disclosed
CN-108570047-B Pyridinoquinoline derivatives and use thereof 北京鼎材科技有限公司 2020-11-13 — — CN disclosed
CN-108727389-B Pyrene derivative and application thereof in organic luminescent material 北京鼎材科技有限公司 2020-09-18 — — CN disclosed
CN-110857296-A Organic electroluminescent device with hole blocking layer 固安鼎材科技有限公司 2020-03-03 — — CN disclosed
CN-107880050-A Perimidine derivative and application 北京鼎材科技有限公司 2018-04-06 — — CN disclosed
CN-107840834-A A kind of benzopyrenes compound and application 北京鼎材科技有限公司 2018-03-27 — — CN disclosed
CN-104628623-B 2,6,6,8-tetra-substituted-6H-benzo[cd]pyrene compound and organic electroluminescence device containing same 北京鼎材科技有限公司 2017-03-22 — — CN disclosed
WO-2016126035-A1 ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-08-11 — — WO disclosed
CN-104628623-A 2,6,6,8-tetra-substituted-6H-benzo[cd]pyrene compound and organic electroluminescence device containing same BEIJING ETERNAL MATERIAL TECHNOLOGY CO LTD 2015-05-20 — — CN disclosed
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