SCHEMBL13604284

SCHEMBL13604284

CC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CHRNA7 P36544 2/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ CA2 P00918 6/20 0.32
▸ CA12 O43570 5/20 0.32
▸ CA1 P00915 5/20 0.32
▸ CA9 Q16790 5/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ CHAT P28329 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPR3 P17342 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
SCHEMBL13793456 0.94 FUT8 (0.36) FUT8CHRNA7CA2CA12CA1
SCHEMBL13604230 0.94 FUT8 (0.36) FUT8CHRNA7CA2CA12CA1
SCHEMBL13599483 0.94 FUT8 (0.36) FUT8CHRNA7CA2CA12CA1
SCHEMBL13604278 0.91 FUT8 (0.35) FUT8POLBCHRNA7ENPP2CA2
SCHEMBL14372026 0.89 FUT8 (0.37) FUT8POLBCHRNA7ENPP2CA2
SCHEMBL13599477 0.89 CHAT (0.36) FUT8CA2CA12CA1CA9
SCHEMBL13340695 0.89 CHAT (0.36) FUT8CA2CA12CA1CA9
SCHEMBL13599474 0.88 CA12 (0.30) CA2CA12CA1CA9CA14
SCHEMBL13604238 0.88 CA12 (0.30) CA2CA12CA1CA9CA14
SCHEMBL14071616 0.87 CA12 (0.33) FUT8CHRNA7CA2CA12CA1

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-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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