SCHEMBL13823305

SCHEMBL13823305

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.63
▸ CYP1A2 P05177 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ ENPP2 Q13822 7/20 0.43
▸ PRMT1 Q99873 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ PRMT3 O60678 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33

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
SCHEMBL14048503 0.93 FUT8 (0.62) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13815349 0.91 FUT8 (0.51) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13815351 0.91 FUT8 (0.51) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12172993 0.85 FUT8 (0.57) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13823303 0.81 FUT8 (0.67) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL7777246 0.80 FUT8 (0.71) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13474896 0.78 FUT8 (1.00) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL31474592 0.78 FUT8 (1.00) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12138276 0.77 FUT8 (0.69) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL9454071 0.77 FUT8 (0.88) 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
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
Send feedback