SCHEMBL16309276

SCHEMBL16309276

CC(CNc1nc(Cl)nc(Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c3cccc(S(=O)(=O)O)c23)n1)Nc1nc(F)nc(Nc2ccc([SH](=O)=O)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FUT8 Q9BYC5 1/20 0.37
▸ ATIC P31939 1/20 0.35
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.35
▸ CHAT P28329 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ NPR3 P17342 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
SCHEMBL14494695 1.00 MEN1 (0.38) MEN1THRBKMT2AFUT8ATIC
SCHEMBL13656154 0.92 MEN1 (0.39) MEN1THRBKMT2AFUT8ATIC
SCHEMBL14494873 0.89 FUT8 (0.43) MEN1THRBKMT2AFUT8CHAT
SCHEMBL18633384 0.88 MEN1 (0.47) MEN1THRBKMT2AFUT8ATIC
SCHEMBL14494793 0.84 MEN1 (0.38) MEN1THRBKMT2AFUT8CHAT
SCHEMBL14494794 0.83 ENPP2 (0.40) MEN1THRBKMT2AFUT8
SCHEMBL18633385 0.81 SNCA (0.48) MEN1THRBKMT2AFUT8ATIC
SCHEMBL13722631 0.78 ATIC (0.48) MEN1THRBKMT2AFUT8ATIC
SCHEMBL13454500 0.75 SENP2 (0.50) MEN1THRBKMT2AFUT8ATIC
SCHEMBL18633525 0.75 MEN1 (0.53) MEN1THRBKMT2AFUT8ATIC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8911509-B2 Mixtures of fibre-reactive dyes and their use in a method for di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2014-12-16 — — US disclosed
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