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SCHEMBL13454497

SCHEMBL13454497

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cccc3cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1ccc(Nc2nc(Nc3cccc(S(=O)(=O)O)c3)nc(-[n+]3cccc(C)c3)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ENPP2 Q13822 4/20 0.36
▸ PTK2 Q05397 1/20 0.32
▸ CASP6 P55212 1/20 0.31
▸ FUT8 Q9BYC5 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
SCHEMBL13454530 0.93 MEN1 (0.41) MEN1THRBKMT2AENPP2CASP6
SCHEMBL13454496 0.90 MEN1 (0.35) MEN1THRBKMT2AENPP2
SCHEMBL13454501 0.89 MEN1 (0.33) MEN1THRBKMT2A
SCHEMBL15255589 0.89 MEN1 (0.42) MEN1THRBKMT2AENPP2FUT8
SCHEMBL13454498 0.87 MEN1 (0.35) MEN1THRBKMT2AENPP2
SCHEMBL13454526 0.83 MEN1 (0.35) MEN1THRBKMT2AENPP2
SCHEMBL13454539 0.83 MEN1 (0.34) MEN1THRBKMT2A
SCHEMBL15255568 0.81 MEN1 (0.38) MEN1THRBKMT2AENPP2
SCHEMBL13454484 0.81 MEN1 (0.47) MEN1THRBKMT2AENPP2FUT8
SCHEMBL15255591 0.81 MEN1 (0.39) MEN1THRBKMT2AENPP2

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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