SCHEMBL13815348

SCHEMBL13815348

COc1ccc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)cc(Nc4nc(Cl)nc(Nc5cccc6ccccc56)n4)c3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ CYP1A2 P05177 5/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PRMT1 Q99873 2/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ ENPP2 Q13822 3/20 0.35
▸ HIF1A Q16665 2/20 0.34
▸ MPL P40238 2/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ PTPN11 Q06124 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PTPRA P18433 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL12589891 0.84 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14071634 0.84 FUT8 (0.52) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14020931 0.84 FUT8 (0.52) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14500860 0.82 FUT8 (0.74) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12136687 0.81 FUT8 (0.56) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13815349 0.81 FUT8 (0.51) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14444809 0.81 FUT8 (0.51) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14488860 0.80 ENPP2 (0.41) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13991093 0.79 FUT8 (0.48) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12589896 0.79 FUT8 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553339-B2 Bringing fiber material into contact with at least one reactive dye containing at least one anionic group, at least one compound which reduces the ionic character of the anionic group, and at least one nucleophilic compound; yields dyeings or prints having deep hues and very good fastness HUNTSMAN INTERNATIONAL LLC (US) 2009-06-30 — — US disclosed
US-20070130703-A1 Bringing fiber material into contact with at least one reactive dye containing at least one anionic group, at least one compound which reduces the ionic character of the anionic group, and at least one nucleophilic compound; yields dyeings or prints having deep hues and very good fastness CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-06-14 — — US disclosed
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