SCHEMBL12138276

SCHEMBL12138276

Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6ccccc6c5S(=O)(=O)O)c(O)c34)n2)ccc1S(=O)(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.69
▸ CYP1A2 P05177 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ DNASE1L3 Q13609 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ ENPP2 Q13822 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ PRMT1 Q99873 1/20 0.41
▸ CHAT P28329 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL8115709 0.91 FUT8 (0.70) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8115691 0.91 FUT8 (0.70) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12136687 0.90 FUT8 (0.56) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL18218275 0.89 FUT8 (0.66) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8521120 0.89 FUT8 (0.88) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL9454071 0.89 FUT8 (0.88) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12442261 0.87 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13455170 0.86 FUT8 (0.77) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13111196 0.86 FUT8 (0.64) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL20685379 0.86 FUT8 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049600-B1 RED REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADV MAT SWITZERLAND (CH) 2013-06-19 — — EP disclosed
US-8066809-B2 Red reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2011-11-29 — — US disclosed
US-20100159140-A1 RED REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-06-24 — — US disclosed
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