SCHEMBL7795450

SCHEMBL7795450

O=C(O)c1ccc(-c2ccc3cc(S(=O)(=O)O)cc(O)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.56
ERN1 O75460 3/20 0.53
NSD2 O96028 3/20 0.52
CASP6 P55212 4/20 0.52
DUSP3 P51452 2/20 0.52
PTPN5 P54829 2/20 0.52
PTPN11 Q06124 2/20 0.52
CASP7 P55210 1/20 0.52
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
PRMT1 Q99873 1/20 0.46
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ALDH1A1 P00352 2/20 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
SCHEMBL26891719 0.85 CASP6 (0.63) NT5EERN1NSD2CASP6DUSP3
SCHEMBL6568796 0.82 CASP6 (0.78) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL26885948 0.79 NT5E (0.68) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL8109724 0.78 NT5E (0.74) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL8574929 0.75 PRMT1 (0.64) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL1413079 0.75 NT5E (0.70) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL1070221 0.75 NT5E (0.70) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL29429653 0.75 NT5E (0.70) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL25196311 0.74 LCK (0.52) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL30156858 0.74 LCK (0.52) NT5ENSD2CASP6DUSP3PTPN5

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-0888406-B1 AZO COMPOUNDS AVECIA LTD (GB) 2001-12-12 EP disclosed