SCHEMBL8408821

SCHEMBL8408821

Cc1cccc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.51
▸ TSHR P16473 2/20 0.50
▸ DUSP5 Q16690 1/20 0.49
▸ APEX1 P27695 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ NSD2 O96028 3/20 0.44
▸ CASP6 P55212 3/20 0.44
▸ DUSP3 P51452 2/20 0.44
▸ PTPN5 P54829 2/20 0.44
▸ PTPN11 Q06124 2/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ PRMT1 Q99873 2/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL423301 0.84 NT5E (0.56) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL5637719 0.83 NT5E (0.54) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL10905229 0.83 NT5E (0.54) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL7758395 0.82 NT5E (0.62) NT5EAPEX1ALDH1A1CYP2C9HSD17B10
SCHEMBL465011 0.81 DUSP5 (0.62) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL30491182 0.81 DUSP5 (0.62) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL18274854 0.81 DUSP5 (0.62) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL3928588 0.80 NT5E (0.70) NT5ETSHRDUSP5APEX1ALDH1A1
Potassium SCHEMBL18274869 0.80 DUSP5 (0.60) NT5ETSHRDUSP5APEX1ALDH1A1
SCHEMBL11307786 0.80 DUSP5 (0.60) NT5ETSHRDUSP5APEX1ALDH1A1

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-7282070-B2 Reactive dye composition and the use thereof EVERLIGHT USA, INC. (US) 2007-10-16 — — US disclosed
EP-0929610-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 — — EP disclosed
WO-1998014522-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 — — WO disclosed
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