SCHEMBL13815349

SCHEMBL13815349

O=C(Nc1ccc(S(=O)(=O)O)c(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)cc(Nc4nc(Cl)nc(Nc5cccc6ccccc56)n4)c3c2O)c1)C(Br)CBr

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.51
▸ MAPK1 P28482 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ ENPP2 Q13822 2/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CHAT P28329 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
SCHEMBL13823305 0.91 FUT8 (0.63) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL13815351 0.86 FUT8 (0.51) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL14048503 0.84 FUT8 (0.62) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL13815348 0.81 FUT8 (0.53) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12136687 0.80 FUT8 (0.56) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL14500860 0.79 FUT8 (0.74) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12136693 0.79 FUT8 (0.63) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12136688 0.79 FUT8 (0.50) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL12172993 0.78 FUT8 (0.57) FUT8MAPK1CYP1A2CYP2C9DNASE1L3
SCHEMBL13815211 0.78 FUT8 (0.74) FUT8MAPK1CYP1A2CYP2C9DNASE1L3

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
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-7396370-B2 Method of dyeing or printing synthetic polyamide fibre materials using reactive dyes HUNTSMAN INTERNATIONAL LLC (US) 2008-07-08 — — 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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