SCHEMBL13604556

SCHEMBL13604556

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cccc([SH](=O)=O)c3)n2)ccc1N=Nc1cc2c(S)cc(S)cc2cc1S

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ APP P05067 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ FUT8 Q9BYC5 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
SCHEMBL14222100 0.86 POLB (0.32) CA12CA1CA2CA9POLB
SCHEMBL13604623 0.84 KIF11 (0.32) —
SCHEMBL13604784 0.80 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL13611367 0.74 POLB (0.40) CA12CA1CA2CA9POLB
SCHEMBL14159926 0.72 CA12 (0.46) CA12CA1CA2CA9APP
SCHEMBL14164099 0.71 MEN1 (0.31) MEN1MAPTKMT2A
SCHEMBL13611632 0.69 KCNH3 (0.33) CA12CA1CA2CA9MEN1
SCHEMBL14094982 0.69 MEN1 (0.38) CA12CA1CA2CA9APP
SCHEMBL17323131 0.68 SIGMAR1 (0.38) CA12CA1CA2CA9POLB
SCHEMBL17323123 0.67 SIGMAR1 (0.41) CA12CA1CA2CA9POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632316-B2 Reactive dyestuff, method for production thereof and use of the same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-15 — — US disclosed
US-20080189880-A1 Reactive Dyestuff, Method For Production Thereof and Use of the Same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-14 — — US disclosed
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