SCHEMBL14372008

SCHEMBL14372008

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3cc(Nc4nc(Cl)nc(Nc5ccc(SOC(=O)CSOOO)cc5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ ENPP2 Q13822 2/20 0.33
▸ POLB P06746 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ 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
SCHEMBL14372007 0.95 FUT8 (0.47) FUT8ENPP2
SCHEMBL14372010 0.95 FUT8 (0.48) FUT8ENPP2CA12CA1CA2
SCHEMBL14372009 0.88 FUT8 (0.38) FUT8ENPP2
SCHEMBL13599566 0.86 FUT8 (0.51) FUT8ENPP2POLBCARM1PRMT1
SCHEMBL14372011 0.85 FUT8 (0.38) FUT8POLBCA12CA1CA2
SCHEMBL14372038 0.83 FUT8 (0.33) FUT8
SCHEMBL13647493 0.82 FUT8 (0.41) FUT8ENPP2CA12CA1CA2
SCHEMBL14020377 0.82 FUT8 (0.41) FUT8ENPP2CARM1PRMT1
SCHEMBL14372039 0.81 CA12 (0.35) FUT8POLBCA12CA1CA2
SCHEMBL14020322 0.78 FUT8 (0.40) FUT8ENPP2

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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