Sugi Predict

Sugi Predict / Compounds / SCHEMBL16624659

SCHEMBL16624659

SCHEMBL16624659

O=C(CCCS(=O)(=O)CCCl)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.39
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ CHAT P28329 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 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 0.93 FUT8 (0.37) FUT8USP2APEX1CHAT
SCHEMBL16626825 0.93 FUT8 (0.36) FUT8USP2APEX1CHAT
SCHEMBL16624668 0.87 FUT8 (0.45) FUT8USP2APEX1CHATCA12
SCHEMBL16624664 0.83 FUT8 (0.36) FUT8
SCHEMBL16626824 0.81 FUT8 (0.46) FUT8USP2APEX1CHATCA12
SCHEMBL16624663 0.80 FUT8 (0.45) FUT8USP2APEX1CHATCA12
SCHEMBL27404324 0.77 FUT8 (0.42) FUT8USP2APEX1CHATCA12
SCHEMBL16626839 0.77 FUT8 (0.37) FUT8CA2
SCHEMBL16624647 0.76 FUT8 (0.54) FUT8USP2APEX1CHAT
SCHEMBL16624650 0.74 FUT8 (0.44) FUT8

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