Sugi Predict

Sugi Predict / Compounds / SCHEMBL21301112

SCHEMBL21301112

SCHEMBL21301112

Cc1cc(-c2ccc3c(c2)C(=O)c2cc(-c4cc(C)c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)s4)ccc2-3)sc1-c1ccc(-c2ccc(/C=C(\C#N)C(=O)O)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ APP P05067 2/20 0.47
▸ SLC16A3 O15427 1/20 0.40
▸ SLC16A1 P53985 1/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CISD1 Q9NZ45 1/20 0.34

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
SCHEMBL14948627 0.86 MAPT (0.49) MAPTAPPSLC16A3SLC16A1
SCHEMBL21301094 0.86 MAPT (0.54) MAPTAPPSLC16A3SLC16A1MEN1
SCHEMBL7007659 0.82 MAPT (0.78) MAPTAPPSLC16A3SLC16A1ALDH1A1
SCHEMBL12294129 0.82 MAPT (0.78) MAPTAPPSLC16A3SLC16A1ALDH1A1
SCHEMBL14948630 0.81 MAPT (0.43) MAPTAPPSLC16A3SLC16A1
SCHEMBL12294131 0.81 MAPT (0.80) MAPTAPPSLC16A3SLC16A1ALDH1A1
SCHEMBL21300987 0.80 MAPT (0.47) MAPTAPPSLC16A3SLC16A1MEN1
SCHEMBL21300988 0.79 MAPT (0.49) MAPTAPPSLC16A3SLC16A1MEN1
SCHEMBL21300995 0.78 MAPT (0.46) MAPTAPPSLC16A3SLC16A1MEN1
SCHEMBL7006739 0.78 MAPT (0.65) MAPTAPPSLC16A3SLC16A1ALDH1A1

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
Send feedback