SCHEMBL14071650

SCHEMBL14071650

NCCSc1nc(Cl)nc(Nc2ccc(/N=N/c3cc4c(S(=O)(=O)O)cc(SOOO)cc4cc3S(=O)(=O)O)c(NC(N)=O)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.34
▸ CHRNA7 P36544 5/20 0.33
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL14071641 0.95 PTPN11 (0.33) PTPN11
SCHEMBL14071657 0.92 FUT8 (0.32) FUT8CHRNA7CARM1PRMT1
SCHEMBL14020997 0.92 FUT8 (0.38) FUT8CHRNA7CARM1PRMT1PTPN11
SCHEMBL14071632 0.92 FUT8 (0.38) FUT8CHRNA7CARM1PRMT1PTPN11
SCHEMBL13793182 0.88 FUT8 (0.38) FUT8CHRNA7CARM1PRMT1PTPN11
SCHEMBL14071616 0.86 CA12 (0.33) FUT8CHRNA7
SCHEMBL12377651 0.86 FUT8 (0.38) FUT8CARM1PRMT1PTPN11
SCHEMBL12053422 0.86 FUT8 (0.38) FUT8CARM1PRMT1PTPN11
SCHEMBL14071647 0.85 CA12 (0.33) FUT8
SCHEMBL14071648 0.85 PTPN11 (0.31) PTPN11

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-20080216256-A1 Heterobifunctional reactive dyes comprising a cysteamine linking group NORTH CAROLINA STATE UNIVERSITY (US) 2008-09-11 — — US disclosed
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