SCHEMBL13454544

SCHEMBL13454544

CCN(c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2ccc(N=Nc3ccc4cccc(S(=O)(=O)O)c4c3)c3cccc(S(=O)(=O)O)c23)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FUT8 Q9BYC5 1/20 0.34
▸ ATIC P31939 2/20 0.33
▸ CTRB1 P17538 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
SCHEMBL15255575 0.94 MEN1 (0.37) MEN1THRBKMT2AFUT8ATIC
SCHEMBL13454545 0.84 MEN1 (0.33) MEN1THRBKMT2A
SCHEMBL12965814 0.80 CD40 (0.39) THRBFUT8
SCHEMBL14004226 0.76 CA1 (0.39) KMT2AFUT8
SCHEMBL13880614 0.76 MEN1 (0.44) MEN1THRBKMT2AFUT8ATIC
SCHEMBL22375580 0.76 CA1 (0.44) MEN1KMT2A
SCHEMBL16348833 0.75 CA12 (0.33) KMT2A
SCHEMBL12062853 0.75 SNCA (0.35) MEN1THRBKMT2AFUT8
SCHEMBL14981568 0.74 FUT8 (0.36) THRBFUT8
SCHEMBL13880686 0.74 PRMT1 (0.49) MEN1KMT2AFUT8

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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