SCHEMBL16624661

SCHEMBL16624661

O=S(=O)(COS(=O)(=O)O)Cc1ccc2c(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(Nc5nc(Cl)nc(Nc6cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c6O)n5)c4c3O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.51
▸ PRMT1 Q99873 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ ENPP2 Q13822 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ THRB P10828 2/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 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
SCHEMBL16624660 0.93 FUT8 (0.56) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL16624648 0.89 FUT8 (0.58) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL16624643 0.88 FUT8 (0.58) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL16624669 0.83 FUT8 (0.73) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL16624644 0.82 FUT8 (0.58) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL13138839 0.81 FUT8 (0.65) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL29886810 0.81 FUT8 (0.65) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL14514300 0.81 FUT8 (0.65) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL13880675 0.80 FUT8 (0.60) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL16624655 0.80 FUT8 (0.43) FUT8PRMT1CYP1A2CYP2C9MAPK1

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