SCHEMBL16173852

SCHEMBL16173852

CCOC(=O)c1ccccc1/N=N/c1cc(S(=O)(=O)O)c(N)c(/N=N/c2cc(S(=O)(=O)CCO)ccc2OC)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.38
▸ SENP3 Q9H4L4 3/20 0.36
▸ SENP2 Q9HC62 3/20 0.36
▸ SENP1 Q9P0U3 3/20 0.36
▸ SUMO2 P61956 2/20 0.36
▸ SUMO1 P63165 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL15044719 1.00 ENPP2 (0.38) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15044902 0.93 CA2 (0.41) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL16173874 0.93 CA2 (0.41) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL16170949 0.90 ENPP2 (0.40) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15044720 0.88 ENPP2 (0.37) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15044778 0.87 SENP2 (0.39) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15044783 0.87 SENP2 (0.39) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL16173869 0.86 CA2 (0.41) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15044922 0.86 CA2 (0.41) ENPP2SENP3SENP2SENP1SUMO2
SCHEMBL15044926 0.84 SENP2 (0.47) ENPP2SENP3SENP2SENP1SUMO2

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-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 — — US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 — — US disclosed
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