SCHEMBL9775588

SCHEMBL9775588

COc1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(OC)cc6)nc(N6CCOCC6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)nc(N3CCOCC3)n2)cc1.[NaH].[NaH]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ CTSL P07711 2/20 0.55
▸ CTSB P07858 2/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSK P43235 2/20 0.55
▸ MAPT P10636 6/20 0.52
▸ PTGS2 P35354 2/20 0.51
▸ MAPK1 P28482 3/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ MERTK Q12866 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8411914 0.90 LMNA (0.60) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL26134061 0.90 CA12 (0.57) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL14390759 0.89 HSD17B10 (0.52) MEN1KMT2AMAPTPTGS2MAPK1
SCHEMBL1234766 0.89 CA12 (0.60) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL5955270 0.89 CA12 (0.60) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL5955302 0.89 CA12 (0.60) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL6850691 0.89 CA12 (0.60) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL2206035 0.89 CA12 (0.58) MEN1KMT2AMAPTPTGS2CA12
SCHEMBL2203214 0.88 CA12 (0.57) MEN1KMT2AMAPTPTGS2MAPK1
SCHEMBL8411932 0.88 LMNA (0.60) MEN1KMT2AMAPTPTGS2CA12

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-5021182-A N,N,N',N'-Tetraacetylene diamine and pentaacetyl glucose; disinfecting laundry at low washing temperatures Epp, Roman A. (DE) 1991-06-04 — — US disclosed
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