SCHEMBL16624656

SCHEMBL16624656

O=S(=O)(O)OCCS(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3ccc4c(O)c(/N=N/c5ccccc5S(=O)(=O)O)c(S(=O)(=O)O)cc4c3S(=O)(=O)O)n2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.52
▸ CYP1A2 P05177 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ ENPP2 Q13822 5/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CHAT P28329 2/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL16624650 0.94 FUT8 (0.44) FUT8ALDH1A1HIF1ACARM1PRMT1
SCHEMBL16624655 0.92 FUT8 (0.43) FUT8CYP1A2ALDH1A1HIF1ACARM1
SCHEMBL16624652 0.92 FUT8 (0.43) FUT8CYP1A2ALDH1A1HIF1ACARM1
SCHEMBL16624653 0.90 FUT8 (0.41) FUT8CARM1PRMT1ENPP2PHLPP2
SCHEMBL16624669 0.86 FUT8 (0.73) FUT8CYP1A2ALDH1A1HIF1APRMT1
SCHEMBL16624642 0.82 FUT8 (0.51) FUT8CYP1A2ALDH1A1HIF1ACARM1
SCHEMBL16624643 0.81 FUT8 (0.58) FUT8CYP1A2ALDH1A1HIF1APRMT1
SCHEMBL16624648 0.80 FUT8 (0.58) FUT8CYP1A2ALDH1A1HIF1APRMT1
SCHEMBL14388768 0.80 FUT8 (0.38) FUT8CARM1PRMT1ENPP2PHLPP2
SCHEMBL12173038 0.78 FUT8 (0.81) FUT8CYP1A2CARM1PRMT1ENPP2

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