SCHEMBL13454517

SCHEMBL13454517

CNc1nc(Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c3cccc(S(=O)(=O)O)c23)nc(-[n+]2cccc(C(=O)O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ ATIC P31939 3/20 0.41
▸ SUMO2 P61956 2/20 0.41
▸ SUMO1 P63165 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP2 Q9HC62 2/20 0.41
▸ SNCA P37840 2/20 0.32
▸ CHAT P28329 1/20 0.32
▸ ENPP2 Q13822 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ SENP1 Q9P0U3 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ IDE P14735 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ CCR6 P51684 1/20 0.30
▸ BLM P54132 1/20 0.30

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
SCHEMBL13454502 0.91 SENP2 (0.42) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454486 0.90 SENP2 (0.44) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454518 0.90 MEN1 (0.48) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454519 0.90 MEN1 (0.39) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454512 0.85 SENP2 (0.43) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13722631 0.83 ATIC (0.48) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454479 0.82 SENP2 (0.47) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13469033 0.82 SENP2 (0.40) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454505 0.82 SENP2 (0.40) MEN1KMT2ATHRBATICSUMO2
SCHEMBL13454492 0.81 ATIC (0.41) MEN1KMT2ATHRBATICSUMO2

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-8536329-B2 Reactive dye EVERLIGHT USA, INC. (US) 2013-09-17 — — US disclosed
US-20120264922-A1 REACTIVE DYE EVERLIGHT USA, INC. (US) 2012-10-18 — — US disclosed
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