SCHEMBL16624668

SCHEMBL16624668

NC(=O)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 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.45
▸ CHAT P28329 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ CA9 Q16790 10/20 0.34
▸ CA12 O43570 9/20 0.34
▸ CA1 P00915 9/20 0.34
▸ CA2 P00918 9/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 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
SCHEMBL16626824 0.91 FUT8 (0.46) FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404324 0.89 FUT8 (0.42) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624659 0.87 FUT8 (0.39) FUT8CHATUSP2APEX1CA9
SCHEMBL16626844 0.87 FUT8 (0.37) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624663 0.85 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404091 0.85 P2RY2 (0.39) FUT8CHATUSP2APEX1ENPP3
SCHEMBL6747988 0.85 CA12 (0.36) FUT8CHATCA9CA12CA1
SCHEMBL15985984 0.84 FUT8 (0.43) FUT8CHATUSP2APEX1ENPP3
SCHEMBL45600 0.84 FUT8 (0.44) FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404369 0.84 FUT8 (0.39) 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 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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