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SCHEMBL21300987

SCHEMBL21300987

Cc1cc(-c2ccc(-c3cc(C)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nonc23)sc1-c1ccc(/C=C(\C#N)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ SLC16A3 O15427 1/20 0.41
▸ SLC16A1 P53985 1/20 0.41
▸ APP P05067 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CISD1 Q9NZ45 1/20 0.35

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
SCHEMBL21300995 0.98 MAPT (0.46) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL21005811 0.89 MAPT (0.46) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL14948587 0.86 MAPT (0.42) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL21301096 0.85 MAPT (0.46) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL14948588 0.84 MAPT (0.41) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL21301094 0.84 MAPT (0.54) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL21301112 0.80 MAPT (0.55) MAPTSLC16A3SLC16A1APPMEN1
SCHEMBL21300969 0.77 MAPT (0.39) MAPTSLC16A3SLC16A1APP
SCHEMBL21300982 0.77 MAPT (0.35) MAPTAPPMEN1ALDH1A1KMT2A
SCHEMBL21300978 0.76 MAPT (0.34) MAPTAPP

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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