SCHEMBL16170802

SCHEMBL16170802

COc1cc(NCCCCCO)c(C)cc1/N=N/c1cc(S(=O)(=O)O)c(N)c(/N=N/c2ccccc2C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP2 Q9HC62 5/20 0.46
▸ SENP1 Q9P0U3 5/20 0.46
▸ SUMO2 P61956 4/20 0.46
▸ SUMO1 P63165 4/20 0.46
▸ SENP7 Q9BQF6 4/20 0.46
▸ SENP3 Q9H4L4 3/20 0.46
▸ ENPP2 Q13822 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ THRB P10828 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ RECQL P46063 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ BLM P54132 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL16170801 0.94 SENP2 (0.47) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16170913 0.88 SENP2 (0.46) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL15044702 0.82 MAPT (0.38) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL15044694 0.82 MAPT (0.38) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16170912 0.82 SENP2 (0.49) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16170713 0.82 SENP2 (0.49) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16170798 0.81 SENP2 (0.48) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16170886 0.79 SENP2 (0.50) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16170822 0.78 SENP2 (0.48) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL15044692 0.75 MAPT (0.39) SENP2SENP1SUMO2SUMO1SENP7

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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