SCHEMBL9682571

SCHEMBL9682571

O=S(=O)(O)c1ccc(Nc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.84
NSD2 O96028 3/20 0.84
DUSP3 P51452 2/20 0.84
PTPN5 P54829 2/20 0.84
PTPN11 Q06124 2/20 0.84
CASP7 P55210 1/20 0.84
NT5E P21589 3/20 0.66
SNCA P37840 2/20 0.63
PRMT1 Q99873 2/20 0.55
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
ENPP2 Q13822 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.46
CYP1A2 P05177 3/20 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
SCHEMBL590150 0.91 CASP6 (1.00) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29401736 0.91 CASP6 (1.00) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL11721098 0.90 CASP6 (0.78) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL11511934 0.90 CASP6 (0.78) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9722951 0.89 PRMT1 (0.68) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8015044 0.88 CASP6 (0.84) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6568796 0.88 CASP6 (0.78) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL5674143 0.87 CASP6 (0.69) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8604070 0.86 CASP6 (0.72) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL4349757 0.85 SNCA (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0212264-B1 COLOURED WATER SOLUBLE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP disclosed
EP-0212264-A1 Coloured water soluble compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed
EP-0053097-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1982-06-02 EP disclosed