SCHEMBL7574337

SCHEMBL7574337

O=S(=O)(O)c1cc(O)c2c(Nc3nc(Cl)nc(N(CCO)Cc4ccccc4)n3)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ CRHR1 P34998 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NSD2 O96028 2/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 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
SCHEMBL16560635 0.78 FUT8 (0.60) FUT8APEX1CA12CA1CA2
SCHEMBL30528721 0.77 FUT8 (0.50) FUT8APEX1CA12CA1CA2
SCHEMBL9233802 0.77 FUT8 (0.53) FUT8APEX1CA12CA1CA2
SCHEMBL5702813 0.77 FUT8 (0.50) FUT8APEX1CA12CA1CA2
SCHEMBL7576686 0.76 APEX1 (0.44) FUT8APEX1CA12CA1CA2
SCHEMBL16560639 0.75 FUT8 (0.59) FUT8APEX1CA12CA1CA2
SCHEMBL9513861 0.74 APEX1 (0.48) FUT8APEX1CA12CA1CA2
SCHEMBL19004091 0.73 FUT8 (0.58) FUT8APEX1CA12CA1CA2
SCHEMBL12693595 0.73 FUT8 (0.51) FUT8APEX1CA12CA1CA2
SCHEMBL5377544 0.73 FUT8 (0.55) FUT8APEX1CA12CA1CA2

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
EP-0957135-B1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-09-25 — — EP disclosed
EP-0957135-A1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-11-17 — — EP disclosed
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