SCHEMBL11317876

SCHEMBL11317876

O=C(O)c1cc(Nc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)ccc1S(=O)(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.70
CASP6 P55212 3/20 0.70
DUSP3 P51452 2/20 0.70
PTPN5 P54829 2/20 0.70
PTPN11 Q06124 2/20 0.70
CASP7 P55210 1/20 0.70
NT5E P21589 2/20 0.60
SNCA P37840 2/20 0.50
PRMT1 Q99873 2/20 0.50
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
ENPP2 Q13822 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL11315232 0.90 CASP6 (0.70) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL6568796 0.85 CASP6 (0.78) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL29401736 0.83 CASP6 (1.00) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL590150 0.83 CASP6 (1.00) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL9682571 0.83 CASP6 (0.84) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL11299906 0.82 CASP6 (0.70) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL11306785 0.82 CASP6 (0.70) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL7784003 0.81 NSD2 (0.77) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8015044 0.80 CASP6 (0.84) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL11307026 0.80 CASP6 (0.70) NSD2CASP6DUSP3PTPN5PTPN11

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-0053097-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1982-06-02 EP disclosed