SCHEMBL13980959

SCHEMBL13980959

Nc1ccc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ PTPN5 P54829 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ ENPP2 Q13822 5/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ SUMO2 P61956 3/20 0.43
▸ SUMO1 P63165 3/20 0.43
▸ SENP7 Q9BQF6 3/20 0.43
▸ SENP2 Q9HC62 3/20 0.43
▸ SENP3 Q9H4L4 1/20 0.43
▸ SENP1 Q9P0U3 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL17681933 0.88 SENP2 (0.56) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9132078 0.86 ENPP2 (0.54) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL4699280 0.83 NT5E (0.41) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9238793 0.83 NT5E (0.41) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6030186 0.83 NT5E (0.41) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL17284072 0.83 SENP2 (0.56) ENPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL9626720 0.82 NT5E (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9809359 0.82 NT5E (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8047831 0.82 ENPP2 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9236858 0.82 ENPP2 (0.49) CASP6NSD2DUSP3PTPN5PTPN11

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
EP-2009065-A1 Reactive dyestuffs with alkylthio group and beta-sulfatoethylsulfone group Everlight USA, Inc. (US) 2008-12-31 — — EP disclosed
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