SCHEMBL28569718

SCHEMBL28569718

N#CC(C#N)C1=CCOc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL24097382 0.77 PKM (0.38) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL7407809 0.73 PKM (0.38) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL29960949 0.73 PKM (0.38) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL8309740 0.70 PKM (0.36) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL6435547 0.70 PKM (0.33) PKMTSHR
SCHEMBL29845468 0.69 PTGS1 (0.39) PKMTSHR
SCHEMBL5541737 0.66 PKM (0.42) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL294469 0.66 TSHR (0.42) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL276292 0.66 PKM (0.47) PKMTSHRABCG2ITGB2ICAM1
SCHEMBL294470 0.66 PKM (0.42) PKMTSHRABCG2ITGB2ICAM1

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-108892654-B Near-infrared fluorescent dye containing 4-dicyanomethylbenzopyran unit, and preparation method and application thereof 武汉振豪生物科技有限公司 2022-06-14 CN claimed
CN-118619912-A Benzopyran near-infrared fluorescent dye, probe, synthesis method and application 新乡医学院 2024-09-10 CN disclosed
CN-108892654-B Near-infrared fluorescent dye containing 4-dicyanomethylbenzopyran unit, and preparation method and application thereof 武汉振豪生物科技有限公司 2022-06-14 CN disclosed
CN-108892654-B Near-infrared fluorescent dye containing 4-dicyanomethylbenzopyran unit, and preparation method and application thereof 武汉振豪生物科技有限公司 2022-06-14 CN disclosed
CN-108892654-B Near-infrared fluorescent dye containing 4-dicyanomethylbenzopyran unit, and preparation method and application thereof 武汉振豪生物科技有限公司 2022-06-14 CN disclosed
CN-112812088-A Near-infrared luminescent triphenylamine derivative fluorescent molecule and preparation method and application thereof 山东大学 2021-05-18 CN disclosed