SCHEMBL14045365

SCHEMBL14045365

CC(O)CN(CC(C)O)c1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(C)(=O)=O)cc4cc(S(=O)(=O)O)c(/N=N/c5cc(Nc6nc(Cl)nc(N(CCO)CCO)n6)ccc5S(=O)(=O)O)c(O)c4c3N)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PRMT1 Q99873 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ ENPP2 Q13822 6/20 0.35
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ USP2 O75604 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ CHAT P28329 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
SCHEMBL14045368 1.00 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL14021978 0.97 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL14021974 0.97 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL14045366 0.96 FUT8 (0.47) FUT8CA12CA1CA2CA9
SCHEMBL14045367 0.95 FUT8 (0.48) FUT8CA12CA1CA2CA9
SCHEMBL14021973 0.93 FUT8 (0.49) FUT8CA12CA1CA2CA9
SCHEMBL14021976 0.91 FUT8 (0.51) FUT8CA12CA1CA2CA9
SCHEMBL14021987 0.89 FUT8 (0.47) FUT8CA12CA1CA2CA9
SCHEMBL14021989 0.89 FUT8 (0.47) FUT8CA12CA1CA2CA9
SCHEMBL14021984 0.81 FUT8 (0.53) FUT8CA12CA1CA2CA9

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-20080257208-A1 Mixtures of Fibre Reactive Dyes DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-10-23 — — US disclosed
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