SCHEMBL14372011

SCHEMBL14372011

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3cc(Nc4nc(Nc5cccc(SOC(=O)CSOOO)c5)nc(N5CCOCC5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.38
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ LMNA P02545 4/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ NPSR1 Q6W5P4 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ USP2 O75604 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL14372039 0.96 CA12 (0.35) FUT8MAPTGAACA12CA1
SCHEMBL14372007 0.90 FUT8 (0.47) FUT8
SCHEMBL14372008 0.85 FUT8 (0.49) FUT8CA12CA1CA2CA9
SCHEMBL14372009 0.81 FUT8 (0.38) FUT8
SCHEMBL14372010 0.81 FUT8 (0.48) FUT8MAPTCA12CA1CA2
SCHEMBL13599539 0.80 FUT8 (0.46) FUT8MAPTCA12CA1CA2
SCHEMBL14400235 0.78 FUT8 (0.46) FUT8MAPTGAACA12CA1
SCHEMBL14372038 0.76 FUT8 (0.33) FUT8
SCHEMBL5961312 0.76 FUT8 (0.41) FUT8MAPTCA12CA1CA2
SCHEMBL13599566 0.75 FUT8 (0.51) FUT8MAPTKMT2AMEN1USP2

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-7282070-B2 Reactive dye composition and the use thereof EVERLIGHT USA, INC. (US) 2007-10-16 — — US disclosed
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