SCHEMBL13196221

SCHEMBL13196221

CC(OS(=O)(=O)O)S(=O)(=O)c1ccc(N=Nc2c(N)ccc3c(O)cc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.45
▸ SENP2 Q9HC62 4/20 0.44
▸ SENP3 Q9H4L4 3/20 0.44
▸ SENP1 Q9P0U3 3/20 0.44
▸ SUMO2 P61956 3/20 0.44
▸ SUMO1 P63165 3/20 0.44
▸ SENP7 Q9BQF6 3/20 0.44
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ APEX1 P27695 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 1/20 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
SCHEMBL13744450 0.83 ENPP2 (0.46) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL13744512 0.81 ENPP2 (0.45) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL13744504 0.79 ENPP2 (0.46) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL14499145 0.79 ENPP2 (0.44) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL14040907 0.79 ENPP2 (0.46) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL16560665 0.78 CYP1A2 (0.54) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL14495163 0.78 CYP1A2 (0.54) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL15452165 0.77 ENPP2 (0.50) ENPP2SENP2SENP3SENP1SUMO2
SCHEMBL5047408 0.75 CTDSP1 (0.39) SENP2SUMO2SUMO1SENP7CYP2C9
SCHEMBL16557870 0.73 SENP2 (0.57) ENPP2SENP2SENP3SENP1SUMO2

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
WO-2012136428-A1 FIBRE-REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-10-11 — — WO disclosed
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