SCHEMBL13744320

SCHEMBL13744320

Cc1cc(Nc2nc(N)nc(Cl)n2)c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ FUT8 Q9BYC5 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ SENP2 Q9HC62 2/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33
▸ SENP3 Q9H4L4 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ APEX1 P27695 1/20 0.32
▸ CHAT P28329 1/20 0.32
▸ SUMO2 P61956 1/20 0.32
▸ SUMO1 P63165 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ CREBBP Q92793 2/20 0.31
▸ BPTF Q12830 1/20 0.31
▸ BRD3 Q15059 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
SCHEMBL13341084 0.88 THRB (0.39) USP2ALDH1A1THRBENPP2FUT8
SCHEMBL13880625 0.84 THRB (0.39) USP2ALDH1A1THRBENPP2FUT8
SCHEMBL13880619 0.84 THRB (0.53) THRBENPP2FUT8CARM1PRMT1
SCHEMBL17384028 0.82 SUMO2 (0.46) ALDH1A1THRBENPP2FUT8SENP2
SCHEMBL13341085 0.79 FUT8 (0.37) USP2ALDH1A1THRBENPP2FUT8
SCHEMBL14546907 0.79 ENPP2 (0.49) ALDH1A1THRBENPP2BRD4SENP2
SCHEMBL14546959 0.79 ENPP2 (0.49) ALDH1A1THRBENPP2BRD4SENP2
SCHEMBL13793491 0.79 ENPP2 (0.49) ALDH1A1THRBENPP2BRD4SENP2
SCHEMBL13793183 0.79 BRD4 (0.47) ALDH1A1THRBENPP2BRD4SENP2
SCHEMBL13340848 0.76 FUT8 (0.34) USP2THRBENPP2FUT8SENP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 — — US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 — — US disclosed
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