SCHEMBL13823095

SCHEMBL13823095

C=CS(=O)(=O)CCOCCNc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.55
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ ENPP2 Q13822 5/20 0.36
▸ PRMT1 Q99873 2/20 0.36
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ CARM1 Q86X55 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
SCHEMBL20692455 0.87 FUT8 (0.58) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8974959 0.85 FUT8 (0.69) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13823094 0.85 FUT8 (0.54) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13455170 0.84 FUT8 (0.77) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL25592672 0.83 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12955141 0.83 FUT8 (0.64) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL16624643 0.82 FUT8 (0.58) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685373 0.82 FUT8 (0.52) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685371 0.82 FUT8 (0.55) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13138839 0.82 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7543926-B2 Process for printing textile fibre materials in accordance with the ink-jet printing process HUNTSMAN INTERNATIONAL LLC (US) 2009-06-09 — — US disclosed
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