SCHEMBL14388764

SCHEMBL14388764

Nc1ccc2c(O)c(/N=N/c3cc(Nc4cc(F)nc(F)n4)ccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ ENPP2 Q13822 10/20 0.44
▸ SENP2 Q9HC62 3/20 0.43
▸ SUMO2 P61956 2/20 0.43
▸ SUMO1 P63165 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP1 Q9P0U3 2/20 0.37
▸ SENP3 Q9H4L4 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ PRMT3 O60678 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL12053323 0.89 ENPP2 (0.38) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL14388819 0.87 CD40 (0.43) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL14388848 0.85 ENPP2 (0.39) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL14388916 0.85 ENPP2 (0.39) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL13340927 0.80 ENPP2 (0.33) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL13340645 0.80 ENPP2 (0.33) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL13340662 0.80 ENPP2 (0.39) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL14547033 0.79 CD40 (0.38) CD40CD40LGENPP2SENP2SUMO2
SCHEMBL14547029 0.79 SNCA (0.36) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL13366843 0.78 ENPP2 (0.43) CD40CD40LGENPP2CYP2C9PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
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