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Sugi Predict / Compounds / SCHEMBL9356167

SCHEMBL9356167

SCHEMBL9356167

O=C([O-])CN(CC(=O)[O-])Cc1cc(CCc2ccc(N=C=S)cc2)cc(-c2cc(CCc3ccc(N=C=S)cc3)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cc(CCc2ccc(N=C=S)cc2)cc(-c2cc(CCc3ccc(N=C=S)cc3)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)n1.O=C([O-])CN(CC(=O)[O-])Cc1cc(CCc2ccc(N=C=S)cc2)cc(-c2cc(CCc3ccc(N=C=S)cc3)cc(CN(CC(=O)[O-])CC(=O)[O-])n2)n1.[Eu+3].[Eu+3].[Eu+3].[Eu+3]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ TSHR P16473 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
SCHEMBL9356156 0.88 P2RY6 (0.46) P2RY6HSD17B10CYP3A4TP53CYP1A2
SCHEMBL4598913 0.82 P2RY6 (0.50) P2RY6HSD17B10CYP3A4TP53CYP1A2
SCHEMBL890271 0.78 HSD17B10 (0.34) P2RY6HSD17B10CA1CA2
SCHEMBL1786817 0.78 CNR1 (0.34) HSD17B10
SCHEMBL2383871 0.74 HSD17B10 (0.36) HSD17B10
SCHEMBL8223778 0.74 P2RY6 (0.48) P2RY6HSD17B10CYP3A4TP53CYP1A2
SCHEMBL3433647 0.72 L3MBTL1 (0.35) P2RY6CYP3A4TP53CYP1A2CYP2D6
SCHEMBL24454437 0.70 P2RY6 (0.38) P2RY6HSD17B10CYP3A4TP53CYP1A2
SCHEMBL1853024 0.67 P2RY6 (1.00) P2RY6HSD17B10CYP3A4TP53CYP1A2
SCHEMBL9547715 0.67 P2RY6 (1.00) P2RY6HSD17B10CYP3A4TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 — — EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 — — US disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 — — EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 — — WO disclosed