SCHEMBL14066772

SCHEMBL14066772

Nc1c(S(=O)(=O)O)cc2cc(OS)cc(O)c2c1/N=N/c1ccc(Nc2nc(Cl)nc(NCCNc3nc(Cl)nc(Nc4ccc(/N=N/c5c(N)c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(O)c56)c(S(=O)(=O)O)c4)n3)n2)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ ENPP2 Q13822 4/20 0.45
▸ CYP1A2 P05177 2/20 0.39
▸ PRMT1 Q99873 2/20 0.39
▸ CHAT P28329 3/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35

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
SCHEMBL14063441 0.89 FUT8 (0.50) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL14038348 0.87 FUT8 (0.57) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL14038346 0.86 FUT8 (0.49) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL12189775 0.84 FUT8 (0.60) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL12189798 0.81 ENPP2 (0.60) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL9343981 0.81 FUT8 (0.59) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL16330379 0.80 ENPP2 (0.59) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL16560663 0.79 FUT8 (0.64) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL16560656 0.79 FUT8 (0.59) FUT8ENPP2CYP1A2PRMT1CHAT
SCHEMBL16626823 0.79 FUT8 (0.53) FUT8ENPP2CYP1A2PRMT1CHAT

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-20080233289-A1 diazo dyes used as ink jet printing inks or for dyeing nitrogen-containing or hydroxy-group-containing organic substrates such as leather, fibers, natural or synthetic polyamides, regenerated cellulose or textiles such as cotton; colorfastness CLARIANT FINANCE (BVI) LIMITED (VG) 2008-09-25 — — US disclosed
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