SCHEMBL17327074

SCHEMBL17327074

CC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)ccc3S(=O)(=O)O)n2)ccc1N=Nc1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.41
▸ CHAT P28329 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ CA12 O43570 5/20 0.33
▸ CA1 P00915 5/20 0.33
▸ CA2 P00918 5/20 0.33
▸ CA9 Q16790 5/20 0.33
▸ CTRB1 P17538 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ P2RY2 P41231 1/20 0.32

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
SCHEMBL17327075 0.97 FUT8 (0.41) FUT8CHATUSP2APEX1POLB
SCHEMBL15985984 0.92 FUT8 (0.43) FUT8CHATUSP2APEX1POLB
SCHEMBL15986018 0.87 FUT8 (0.43) FUT8CHATUSP2APEX1POLB
SCHEMBL17384127 0.87 ATIC (0.39) FUT8CHATUSP2APEX1POLB
SCHEMBL15985825 0.87 ATIC (0.39) FUT8CHATUSP2APEX1POLB
SCHEMBL17384276 0.82 POLB (0.40) FUT8CHATUSP2APEX1POLB
SCHEMBL17327033 0.80 FUT8 (0.44) FUT8CHATUSP2APEX1POLB
SCHEMBL16624668 0.80 FUT8 (0.45) FUT8CHATUSP2APEX1POLB
SCHEMBL13604284 0.78 FUT8 (0.35) FUT8CHATUSP2APEX1POLB
SCHEMBL27404324 0.78 FUT8 (0.42) FUT8CHATUSP2APEX1POLB

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-9540765-B2 Mixtures of reactive dyes and their use in a method of di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2017-01-10 — — US disclosed
US-20150354134-A1 Mixtures of Reactive Dyes and Their Use in a Method of Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC 2015-12-10 — — US disclosed
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