SCHEMBL18633526

SCHEMBL18633526

Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4cc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5cc4S(=O)(=O)O)c4cccc(S(=O)(=O)O)c34)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ FUT8 Q9BYC5 1/20 0.54
▸ SNCA P37840 3/20 0.47
▸ CHAT P28329 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ APP P05067 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ ALDH1A1 P00352 2/20 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
SCHEMBL18633525 0.91 MEN1 (0.53) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL13724001 0.90 MEN1 (0.53) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL14217797 0.90 MEN1 (0.52) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL18633385 0.85 SNCA (0.48) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL13723654 0.85 KMT2A (0.47) MEN1KMT2ATHRBFUT8CHAT
SCHEMBL18633387 0.84 ENPP2 (0.47) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL14494873 0.82 FUT8 (0.43) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL13881030 0.79 MEN1 (0.53) MEN1KMT2ATHRBFUT8SNCA
SCHEMBL12062857 0.78 ENPP2 (0.43) MEN1KMT2ATHRBFUT8CHAT
SCHEMBL18633556 0.78 ENPP2 (0.42) MEN1KMT2ATHRBFUT8CHAT

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-2061844-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-03-15 — — EP disclosed
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