SCHEMBL16624643

SCHEMBL16624643

O=S(=O)(O)OCCS(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(O)c34)n2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.58
▸ CYP1A2 P05177 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ ENPP2 Q13822 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRMT1 Q99873 1/20 0.37
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 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
SCHEMBL13138839 0.93 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14514300 0.93 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL29886810 0.93 FUT8 (0.65) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624648 0.93 FUT8 (0.58) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13880675 0.92 FUT8 (0.60) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624642 0.91 FUT8 (0.51) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624652 0.90 FUT8 (0.43) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624669 0.89 FUT8 (0.73) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL16624661 0.88 FUT8 (0.51) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL8974959 0.88 FUT8 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
Send feedback