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SCHEMBL16626825

SCHEMBL16626825

CC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)ccc1/N=N/c1cc(S(=O)(=O)O)c(NC(=O)CCCS(=O)(=O)CCCl)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.36
▸ ENPP2 Q13822 1/20 0.31
▸ CHAT P28329 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 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
SCHEMBL16626844 0.94 FUT8 (0.37) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624659 0.93 FUT8 (0.39) FUT8CHATUSP2APEX1
SCHEMBL16624664 0.84 FUT8 (0.36) FUT8ENPP2
SCHEMBL16624668 0.80 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626824 0.79 FUT8 (0.46) FUT8ENPP2CHATUSP2APEX1
SCHEMBL16626839 0.77 FUT8 (0.37) FUT8ENPP2
SCHEMBL16624663 0.76 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL17327074 0.75 FUT8 (0.41) FUT8CHATUSP2APEX1ENPP3
SCHEMBL13604284 0.75 FUT8 (0.35) FUT8ENPP2CHATUSP2APEX1
SCHEMBL17327075 0.74 FUT8 (0.41) FUT8ENPP2CHATUSP2APEX1

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
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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