SCHEMBL10539383

SCHEMBL10539383

[C-]#[N+]C(=CC=C1[Se]c2ccccc2N1CC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.41
▸ MEN1 O00255 10/20 0.41
▸ KMT2A Q03164 10/20 0.41
▸ USP2 O75604 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ CRHBP P24387 3/20 0.41
▸ CRHR2 Q13324 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ THRB P10828 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PKM P14618 3/20 0.32
▸ BCHE P06276 3/20 0.32
▸ ACHE P22303 2/20 0.32

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
SCHEMBL10479040 0.76 MEN1 (0.70) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10479039 0.76 MEN1 (0.70) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10479014 0.76 KMT2A (0.67) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10479020 0.76 KMT2A (0.42) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10479015 0.76 KMT2A (0.67) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10479021 0.76 KMT2A (0.42) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10540904 0.75 MEN1 (0.42) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10540908 0.75 MEN1 (0.42) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10541340 0.72 MAPT (0.33) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL10479023 0.72 KMT2A (0.40) MAPTMEN1KMT2AUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4855213-A SPECTRA SENSITIZERS EASTMAN KODAK COMPANY (US) 1989-08-08 — — US disclosed
EP-0297873-A2 Novel polymethine dyes and imaging compositions EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-01-04 — — EP disclosed
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