SCHEMBL12054196

SCHEMBL12054196

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(SOOO)cc3cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1ccc(Nc2nc(Cl)nc(Cl)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FUT8 Q9BYC5 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT1 Q99873 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
SCHEMBL14030502 0.87 PHLPP2 (0.35) MEN1THRBKMT2APTPN11ENPP2
SCHEMBL13656150 0.84 FUT8 (0.31) MEN1THRBKMT2AFUT8
SCHEMBL12054193 0.83 ENPP2 (0.36) MEN1THRBKMT2APTPN11ENPP2
SCHEMBL12054162 0.83 ENPP2 (0.36) MEN1THRBKMT2AFUT8ENPP2
SCHEMBL12054156 0.81 MEN1 (0.33) MEN1THRBKMT2AFUT8ENPP2
SCHEMBL18633387 0.80 ENPP2 (0.47) MEN1THRBKMT2AFUT8ENPP2
SCHEMBL13604278 0.80 FUT8 (0.35) FUT8ENPP2CARM1PRMT1
SCHEMBL13723654 0.79 KMT2A (0.47) MEN1THRBKMT2AFUT8ENPP2
SCHEMBL14269778 0.77 PTPN11 (0.34) PTPN11ENPP2
SCHEMBL13454545 0.77 MEN1 (0.33) MEN1THRBKMT2A

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-8083811-B2 Mixtures of reactive dyes and their use in a method for trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2011-12-27 — — US disclosed
US-20100077555-A1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN INTERNATIONAL LLC (US) 2010-04-01 — — US disclosed
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