SCHEMBL21300982

SCHEMBL21300982

Cc1cc(-c2ccc(-c3ccc(/C=C(/C#N)P(O)O)cc3)c3nsnc23)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ APP P05067 1/20 0.34
▸ ESR1 P03372 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL21300973 0.90 MAPT (0.31) MAPTAPP
SCHEMBL21005811 0.88 MAPT (0.46) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL21300978 0.85 MAPT (0.34) MAPTAPPESR1
SCHEMBL21301096 0.83 MAPT (0.46) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL21300972 0.82 NEK2 (0.46) MAPTAPPMEN1KMT2A
SCHEMBL21301094 0.80 MAPT (0.54) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL21300995 0.79 MAPT (0.46) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL21300979 0.77 APP (0.37) MAPTAPPESR1
SCHEMBL21300987 0.77 MAPT (0.47) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL21300893 0.76 ESR1 (0.35) MAPTAPPESR1

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
EP-2776515-B1 ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2019-08-28 — — EP disclosed
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