SCHEMBL30171088

SCHEMBL30171088

c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ CCR1 P32246 1/20 0.38

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
SCHEMBL19232899 1.00 ALDH1A1 (0.56) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL27957314 0.93 ALDH1A1 (0.49) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL30171067 0.90 ALDH1A1 (0.47) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL29001528 0.90 ALDH1A1 (0.47) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL14689826 0.89 ALDH1A1 (0.46) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL14689827 0.89 ALDH1A1 (0.46) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL17793501 0.88 HSP90AA1 (0.47) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL19013386 0.88 ALDH1A1 (0.48) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL14225148 0.87 ALDH1A1 (0.44) ALDH1A1CYP2C19TSHRPI4KAPI4K2B
SCHEMBL29199099 0.87 ALDH1A1 (0.47) ALDH1A1CYP2C19TSHRKMT2AMEN1

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
CN-115746028-B Fluorescent rare earth complex and preparation method and application thereof 华南师范大学 2024-10-01 — — CN claimed
CN-115746028-A Fluorescent rare earth complex and preparation method and application thereof 华南师范大学 2023-03-07 — — CN claimed
CN-115746028-B Fluorescent rare earth complex and preparation method and application thereof 华南师范大学 2024-10-01 — — CN disclosed
CN-115746028-A Fluorescent rare earth complex and preparation method and application thereof 华南师范大学 2023-03-07 — — CN disclosed
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