SCHEMBL28278625

SCHEMBL28278625

O=C(O)c1ccc(C2=C3C=C(c4ccccc4)C(=N3)C=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC2=N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ EGFR P00533 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28349555 0.88 SETD7 (0.40) NPC1RAB9AEGFRKDM4ESMN1; SMN2
SCHEMBL29163406 0.85 NPC1 (0.38) NPC1RAB9AEGFRMKNK1MKNK2
SCHEMBL483513 0.84 NPC1 (0.47) NPC1RAB9AEGFRMKNK1MKNK2
SCHEMBL25395879 0.84 NPC1 (0.47) NPC1RAB9AEGFRMKNK1MKNK2
SCHEMBL25394857 0.84 NPC1 (0.47) NPC1RAB9AEGFRMKNK1MKNK2
SCHEMBL29163495 0.84 NPC1 (0.37) NPC1RAB9AEGFRMKNK1MKNK2
SCHEMBL28232546 0.81 NPC1 (0.34) NPC1RAB9AEGFRMKNK1MKNK2
SCHEMBL3475755 0.80 TSHR (0.44) NPC1RAB9AMKNK1MKNK2KDM4E
SCHEMBL28089246 0.80 BCL2L1 (0.33) NPC1RAB9AMKNK1MKNK2KDM4E
SCHEMBL17183610 0.79 TP53 (0.43) NPC1RAB9AMKNK1MKNK2KDM4E

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118021991-A Acid response self-assembled nanomaterial capable of targeting mitochondria and application thereof in preparation of antitumor drugs 哈尔滨医科大学 2024-05-14 — — CN claimed
CN-114225054-B Application of hybrid organic-metal framework magnetic material as nuclear magnetic resonance contrast agent 中国科学院宁波材料技术与工程研究所慈溪生物医学工程研究所 2024-04-12 — — CN claimed
CN-117304516-A Low-temperature adaptive in-situ hydrogel and preparation method and application thereof 广西大学 2023-12-29 — — CN claimed
CN-114230803-A Metal organic framework composite nano material and preparation method and application thereof 中国科学院宁波材料技术与工程研究所慈溪生物医学工程研究所 2022-03-25 — — CN claimed
CN-114225054-A Application of hybrid organic-metal framework magnetic material as nuclear magnetic resonance contrast agent 中国科学院宁波材料技术与工程研究所慈溪生物医学工程研究所 2022-03-25 — — CN claimed
CN-112871216-B CO2Bismuth-based MOFs photocatalyst for cycloaddition reaction and preparation method and application thereof 山东大学 2022-03-04 — — CN claimed
CN-110845740-B Cyclodextrin metal framework circular polarization luminescent crystal and preparation method and application thereof 中国科学院化学研究所 2022-02-08 — — CN claimed
CN-112871216-A CO2Bismuth-based MOFs photocatalyst for cycloaddition reaction and preparation method and application thereof 山东大学 2021-06-01 — — CN claimed
CN-112535660-A Three-level targeted pH sensitive type nano drug-loaded micelle and preparation method and application thereof 上海交通大学医学院附属第九人民医院 2021-03-23 — — CN claimed
CN-110845740-A Cyclodextrin metal framework circular polarization luminescent crystal and preparation method and application thereof 中国科学院化学研究所 2020-02-28 — — CN claimed
CN-109394691-A A kind of multistage pH sensitivity nano medicament carrying system 青岛大学 2019-03-01 — — CN claimed
CN-118021991-A Acid response self-assembled nanomaterial capable of targeting mitochondria and application thereof in preparation of antitumor drugs 哈尔滨医科大学 2024-05-14 — — CN disclosed
CN-114225054-B Application of hybrid organic-metal framework magnetic material as nuclear magnetic resonance contrast agent 中国科学院宁波材料技术与工程研究所慈溪生物医学工程研究所 2024-04-12 — — CN disclosed
CN-115399328-B Polysaccharide-based sterilization material and preparation method and application thereof 中国科学院化学研究所 2024-03-22 — — CN disclosed
CN-117304516-A Low-temperature adaptive in-situ hydrogel and preparation method and application thereof 广西大学 2023-12-29 — — CN disclosed
CN-110845740-B Cyclodextrin metal framework circular polarization luminescent crystal and preparation method and application thereof 中国科学院化学研究所 2022-02-08 — — CN disclosed
CN-112871216-A CO2Bismuth-based MOFs photocatalyst for cycloaddition reaction and preparation method and application thereof 山东大学 2021-06-01 — — CN disclosed
CN-112535660-A Three-level targeted pH sensitive type nano drug-loaded micelle and preparation method and application thereof 上海交通大学医学院附属第九人民医院 2021-03-23 — — CN disclosed
CN-110845740-A Cyclodextrin metal framework circular polarization luminescent crystal and preparation method and application thereof 中国科学院化学研究所 2020-02-28 — — CN disclosed
CN-109394691-A A kind of multistage pH sensitivity nano medicament carrying system 青岛大学 2019-03-01 — — CN disclosed
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