SCHEMBL25592390

SCHEMBL25592390

Cc1cccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4ccc(N=Nc5ccc6ccccc6c5)c(O)c34)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.54
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ NFKB1 P19838 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ ENPP2 Q13822 5/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHAT P28329 3/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL25592397 0.89 FUT8 (0.54) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL25592407 0.88 FUT8 (0.54) FUT8POLBENPP2MEN1THRB
SCHEMBL14134310 0.85 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL19754273 0.82 FUT8 (0.58) FUT8CA12CA1CA2CA9
SCHEMBL19754268 0.80 FUT8 (0.69) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL16171752 0.79 FUT8 (0.42) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL6129779 0.79 FUT8 (0.51) FUT8CA12CA1CA2CA9
SCHEMBL17190771 0.78 FUT8 (0.69) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL12589955 0.78 FUT8 (0.67) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL25592401 0.78 FUT8 (0.44) FUT8CA12CA1CA2CA9

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-20230167304-A1 Mixture Of Reactive Dyes And Their Use For The Dyeing Or Printing Of Textile Fibre Materials HUNTSMAN TEXTILE EFFECTS (SWITZERLAND) GMBH (CH) 2023-06-01 — — US disclosed
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