SCHEMBL27404369

SCHEMBL27404369

NC(=O)Nc1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)ccc3C(=O)O)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.39
▸ CHAT P28329 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ CA12 O43570 8/20 0.31
▸ CA1 P00915 8/20 0.31
▸ CA2 P00918 8/20 0.31
▸ CA9 Q16790 8/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ HPGDS O60760 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
SCHEMBL27404324 0.95 FUT8 (0.42) FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404091 0.89 P2RY2 (0.39) FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404580 0.85 FUT8 (0.32) FUT8
SCHEMBL16624668 0.84 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL45600 0.79 FUT8 (0.44) FUT8CHATUSP2APEX1ENPP3
SCHEMBL15985984 0.78 FUT8 (0.43) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626824 0.78 FUT8 (0.46) FUT8CHATUSP2APEX1ENPP3
SCHEMBL6747988 0.78 CA12 (0.36) FUT8CHATENPP2CA12CA1
SCHEMBL13880709 0.77 FUT8 (0.42) FUT8CHATUSP2APEX1ENPP3
SCHEMBL13341085 0.77 FUT8 (0.37) FUT8CHATUSP2APEX1ENPP3

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
WO-2024133576-A1 FIBRE-REACTIVE ISOMERIC YELLOW DYE MIXTURES, THEIR PREPARATION AND THEIR USE ARCHROMA (SWITZERLAND) GMBH (CH) 2024-06-27 — — WO disclosed
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