Sugi Predict

Sugi Predict / Compounds / SCHEMBL16624669

SCHEMBL16624669

SCHEMBL16624669

O=S(=O)(O)OCCS(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccccc5S(=O)(=O)O)c(O)c34)n2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.73
▸ CYP1A2 P05177 3/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ PRMT1 Q99873 1/20 0.41
▸ ENPP2 Q13822 6/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ THRB P10828 3/20 0.36
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL12173038 0.92 FUT8 (0.81) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12173026 0.91 FUT8 (0.74) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624644 0.90 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624648 0.90 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624643 0.89 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624660 0.88 FUT8 (0.56) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14613129 0.87 FUT8 (0.61) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8072638 0.86 FUT8 (0.90) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8114946 0.86 FUT8 (0.90) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624656 0.86 FUT8 (0.52) FUT8CYP1A2MAPK1CYP2C9DNASE1L3

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