SCHEMBL6747947

SCHEMBL6747947

CC(N)CNc1cc(F)cc(Nc2ccc(/N=N/c3cc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4cc3S(=O)(=O)O)c(NC(N)=O)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP2 Q13822 11/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ SUMO2 P61956 1/20 0.30
▸ SUMO1 P63165 1/20 0.30
▸ SENP7 Q9BQF6 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
SCHEMBL6747120 0.89 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL15494304 0.80 ENPP2 (0.33) NT5ECD40CD40LGENPP2
SCHEMBL6747124 0.80 FUT8 (0.35) NT5ECD40CD40LGENPP2MEN1
SCHEMBL13302234 0.80 NT5E (0.47) NT5ECD40CD40LGENPP2MEN1
SCHEMBL13881099 0.77 CA1 (0.39) NT5ECD40CD40LGENPP2MEN1
SCHEMBL8779997 0.77 NT5E (0.42) NT5ECD40CD40LGENPP2MEN1
SCHEMBL15363307 0.77 FUT8 (0.37) NT5ECD40CD40LGENPP2MEN1
SCHEMBL13881093 0.77 FUT8 (0.37) NT5ECD40CD40LGENPP2MEN1
SCHEMBL9270771 0.76 FUT8 (0.48) NT5ECD40CD40LGENPP2MEN1
SCHEMBL9740928 0.76 FUT8 (0.48) NT5ECD40CD40LGENPP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8562694-B2 Fibre-reactive azo dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2013-10-22 — — US disclosed
US-20120117737-A1 Fibre-Reactive Azo Dyes, Their Preparation And Their Use Huntsman Advanced Materials (Switzerland) GNBH (CH) 2012-05-17 — — US disclosed
WO-2011018274-A1 FIBRE-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2011-02-17 — — WO disclosed
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