SCHEMBL13656150

SCHEMBL13656150

C=CS(=O)(=O)c1ccc(Nc2nc(F)nc(NC(C)CNc3nc(Cl)nc(Nc4ccc(N=Nc5cc(NC(C)=O)c(N=Nc6cc7c(S(=O)(=O)O)cc(SOOO)cc7cc6S(=O)(=O)O)cc5OC)c5cccc(S(=O)(=O)O)c45)n3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL12054196 0.84 MEN1 (0.36) FUT8MEN1THRBKMT2A
SCHEMBL14494794 0.80 ENPP2 (0.40) FUT8MEN1THRBKMT2A
SCHEMBL14372026 0.79 FUT8 (0.37) FUT8MEN1KMT2A
SCHEMBL13656154 0.79 MEN1 (0.39) FUT8MEN1THRBKMT2A
SCHEMBL14494873 0.78 FUT8 (0.43) FUT8MEN1THRBKMT2A
SCHEMBL13604278 0.76 FUT8 (0.35) FUT8
SCHEMBL14030502 0.75 PHLPP2 (0.35) MEN1THRBKMT2A
SCHEMBL13599485 0.74 FUT8 (0.32) FUT8
SCHEMBL12053422 0.73 FUT8 (0.38) FUT8MEN1THRBKMT2A
SCHEMBL12377651 0.73 FUT8 (0.38) FUT8MEN1THRBKMT2A

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-7604669-B2 azo dyes, triazine dyes has good reproducibility and good all-round colorfastness properties, wet-fastness properties HUNTSMAN INTERNATIONAL LLC (US) 2009-10-20 — — US disclosed
US-20080256726-A1 azo dyes, triazine dyes has good reproducibility and good all-round colorfastness properties, wet-fastness properties HUNTSMAN INTERNATIONAL LLC 2008-10-23 — — US disclosed
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