SCHEMBL11147205

SCHEMBL11147205

Nc1c(N=Nc2cccc(S(=O)(=O)O)c2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.[NaH].[NaH].[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.57
▸ ENPP2 Q13822 9/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ DNASE1L3 Q13609 1/20 0.53
▸ PRMT1 Q99873 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ PHLPP2 Q6ZVD8 1/20 0.52
▸ NT5E P21589 1/20 0.46
▸ SENP2 Q9HC62 3/20 0.46
▸ SUMO2 P61956 2/20 0.46
▸ SUMO1 P63165 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ SENP3 Q9H4L4 2/20 0.45
▸ SENP1 Q9P0U3 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL16560624 0.99 CYP1A2 (0.58) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL7624223 0.91 CYP1A2 (0.62) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL6559437 0.91 CYP1A2 (0.62) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL16557859 0.90 MAPK1 (0.56) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL10978914 0.87 THRB (0.50) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL8829835 0.87 ENPP2 (0.64) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL6561413 0.87 ENPP2 (0.64) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL16560629 0.87 ENPP2 (0.64) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL9338787 0.86 CYP1A2 (0.54) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3
SCHEMBL16560630 0.84 ENPP2 (0.56) CYP1A2ENPP2MAPK1CYP2C9DNASE1L3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4412948-A FOR DYEING CELLULOSE FIBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-01 — — US disclosed
EP-0022265-B1 REACTIVE BISAZO DYES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE FOR DYEING CELLULOSE FIBERS AND CELLULOSIC TEXTILES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-12 — — EP disclosed
EP-0022265-A2 Reactive bisazo dyes, a process for their production and their use for dyeing cellulose fibers and cellulosic textiles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-14 — — EP disclosed
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