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SCHEMBL16624653

SCHEMBL16624653

COc1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c5O)n4)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.41
▸ PRMT1 Q99873 2/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ GAA P10253 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ ENPP2 Q13822 4/20 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
SCHEMBL16624650 0.93 FUT8 (0.44) FUT8PRMT1CARM1PHLPP2CD40
SCHEMBL16624656 0.90 FUT8 (0.52) FUT8PRMT1CARM1PHLPP2CD40
SCHEMBL16624652 0.87 FUT8 (0.43) FUT8PRMT1CARM1PHLPP2ENPP2
SCHEMBL16624655 0.87 FUT8 (0.43) FUT8PRMT1CARM1PHLPP2ENPP2
SCHEMBL14388768 0.81 FUT8 (0.38) FUT8PRMT1CARM1PHLPP2CD40
SCHEMBL16624642 0.78 FUT8 (0.51) FUT8PRMT1CARM1PHLPP2CD40
SCHEMBL16624646 0.78 PRMT1 (0.52) FUT8PRMT1CARM1PHLPP2CD40
SCHEMBL16624643 0.77 FUT8 (0.58) FUT8PRMT1PHLPP2CD40CD40LG
SCHEMBL9156753 0.77 FUT8 (0.47) FUT8PRMT1CARM1PHLPP2CD40
SCHEMBL16624648 0.76 FUT8 (0.58) FUT8PRMT1PHLPP2ENPP2

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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