SCHEMBL7787913

SCHEMBL7787913

O=C(O)N(c1ccccc1)c1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.63
CASP6 P55212 5/20 0.55
DUSP3 P51452 2/20 0.55
PTPN5 P54829 2/20 0.55
PTPN11 Q06124 2/20 0.55
CASP7 P55210 1/20 0.55
NT5E P21589 3/20 0.52
PRMT1 Q99873 1/20 0.43
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C9 P11712 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 3/20 0.41
SNCA P37840 1/20 0.40
CYP1A2 P05177 2/20 0.39
HIF1A Q16665 2/20 0.39
TSHR P16473 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL10393721 0.81 NSD2 (0.74) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL1377131 0.77 NSD2 (1.00) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL7712968 0.76 NSD2 (0.74) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL3894493 0.75 NSD2 (0.78) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8568600 0.75 NSD2 (0.54) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8109724 0.75 NT5E (0.74) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL9093564 0.73 CASP6 (0.62) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL589899 0.73 CASP6 (0.62) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8976412 0.73 NSD2 (0.66) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL9614638 0.73 NSD2 (0.65) 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-0888406-B1 AZO COMPOUNDS AVECIA LTD (GB) 2001-12-12 EP disclosed