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SCHEMBL16624645

SCHEMBL16624645

COc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c5O)n4)ccc3c2O)c(S(=O)(=O)O)cc1/N=N/c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.47
▸ CARM1 Q86X55 1/20 0.47
▸ ENPP2 Q13822 11/20 0.45
▸ FUT8 Q9BYC5 1/20 0.45
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.36
▸ PRMT3 O60678 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL16624646 0.94 PRMT1 (0.52) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL14388936 0.83 PRMT1 (0.56) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL16624642 0.83 FUT8 (0.51) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL4166243 0.78 PRMT1 (0.61) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL3698096 0.78 PRMT1 (0.61) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL14388920 0.78 FUT8 (0.54) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL16624651 0.77 FUT8 (0.53) PRMT1CARM1ENPP2FUT8PHLPP2
SCHEMBL16624647 0.77 FUT8 (0.54) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL16624649 0.77 FUT8 (0.52) PRMT1CARM1ENPP2FUT8CD40
SCHEMBL16624650 0.77 FUT8 (0.44) PRMT1CARM1ENPP2FUT8CD40

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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