SCHEMBL16624651

SCHEMBL16624651

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(Nc3nc(Cl)nc(Nc4cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c4O)n3)c2c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ ENPP2 Q13822 7/20 0.43
▸ PRMT1 Q99873 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTPN1 P18031 2/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL16624669 0.86 FUT8 (0.73) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16624657 0.85 FUT8 (0.53) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16624644 0.85 FUT8 (0.58) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL13880658 0.82 ENPP2 (0.47) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16624648 0.82 FUT8 (0.58) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL14613129 0.81 FUT8 (0.61) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16624643 0.81 FUT8 (0.58) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16624660 0.81 FUT8 (0.56) FUT8ENPP2PRMT1MEN1HTT
SCHEMBL16624646 0.79 PRMT1 (0.52) FUT8ENPP2PRMT1CARM1PHLPP2
SCHEMBL12173038 0.78 FUT8 (0.81) FUT8ENPP2PRMT1MEN1HTT

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
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