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Sugi Predict / Compounds / SCHEMBL16626828

SCHEMBL16626828

SCHEMBL16626828

CCn1c(O)c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c4O)n3)ccc2S(=O)(=O)O)c(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.40
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ CHAT P28329 1/20 0.31
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT1 Q99873 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
SCHEMBL21239129 0.93 FUT8 (0.39) FUT8CHATCARM1PRMT1
SCHEMBL21239044 0.91 FUT8 (0.38) FUT8ENPP3ENPP1CHATCARM1
SCHEMBL16626829 0.90 FUT8 (0.40) FUT8ENPP3ENPP1CHATCARM1
SCHEMBL21239136 0.89 FUT8 (0.33) FUT8
SCHEMBL22538841 0.88 FUT8 (0.33) FUT8
SCHEMBL13599568 0.86 FUT8 (0.39) FUT8CHATCARM1PRMT1
SCHEMBL21239043 0.86 FUT8 (0.33) FUT8CHAT
SCHEMBL12646576 0.85 FUT8 (0.44) FUT8ENPP3ENPP1CHATCARM1
SCHEMBL12974339 0.85 FUT8 (0.44) FUT8ENPP3ENPP1CHATCARM1
SCHEMBL16626831 0.85 FUT8 (0.40) FUT8ENPP3ENPP1CHATCARM1

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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