SCHEMBL30725973

SCHEMBL30725973

CCCCCCCCN1C=CC(=C(C#N)C#N)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ MAPT P10636 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ THRB P10828 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CDC25A P30304 10/20 0.40
▸ CES1 P23141 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL29927359 0.84 MEN1 (0.49) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10448838 0.75 MEN1 (0.54) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10448839 0.75 MEN1 (0.54) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13171882 0.74 MEN1 (0.52) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13591489 0.69 MAPT (0.47) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL29271961 0.65 CES1 (0.49) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL29171018 0.63 ALDH1A1 (1.00) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL30786495 0.63 ALDH1A1 (1.00) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL1989267 0.63 MEN1 (0.42) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL23233617 0.63 ALDH1A1 (0.67) MEN1KMT2AMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343053-A Fluorescent dye with dual effects of excited state intramolecular proton transfer and aggregation-induced luminescence and preparation method thereof 武汉工程大学 2024-01-05 — — CN disclosed
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