SCHEMBL13456089

SCHEMBL13456089

N#CCSc1nc(N)c(/N=N/c2cc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Nc4cc(S(=O)(=O)O)c(/N=N/c5c(N)nc(SCC#N)nc5N)cc4S(=O)(=O)O)n3)cc2S(=O)(=O)O)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ CHAT P28329 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL13425432 0.93 FUT8 (0.35) FUT8HPGDSCHATUSP2APEX1
SCHEMBL13456136 0.88 — —
SCHEMBL13425414 0.79 BRD4 (0.33) —
SCHEMBL13425429 0.79 — —
SCHEMBL13456085 0.78 ENPP2 (0.39) P2RX2
SCHEMBL13456086 0.76 ENPP2 (0.37) APEX1
SCHEMBL13425415 0.75 ENPP2 (0.36) —
SCHEMBL13425411 0.72 PRMT3 (0.39) —
SCHEMBL13425384 0.71 PTPN11 (0.42) —
SCHEMBL8032296 0.69 HPGDS (0.46) FUT8HPGDSCHATUSP2APEX1

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-20100068472-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-03-18 — — US disclosed
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