SCHEMBL13604270

SCHEMBL13604270

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c1/N=N/c1ccc2cc(S(=O)(=O)CCOSOOO)ccc2c1SOOO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.41
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP3 Q9H4L4 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ THRB P10828 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PTPN11 Q06124 1/20 0.30
▸ ENPP1 P22413 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
SCHEMBL12053016 0.89 ENPP2 (0.39) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL12052809 0.88 ENPP2 (0.36) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL12052875 0.88 ENPP2 (0.44) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL13996418 0.86 ENPP2 (0.33) ENPP2THRB
SCHEMBL12053181 0.85 ENPP1 (0.33) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL12052516 0.84 THRB (0.42) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL12052811 0.84 THRB (0.42) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL12052817 0.84 ENPP2 (0.34) ENPP2SUMO2SUMO1SENP7SENP3
SCHEMBL12052535 0.84 ENPP2 (0.32) ENPP2THRBPTPN11
SCHEMBL12052860 0.84 PHLPP2 (0.41) ENPP2SUMO2SUMO1SENP7SENP3

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-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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