SCHEMBL3828044

SCHEMBL3828044

O=S(=O)(O)c1cc(O)c2ccc(N=Nc3ccc(O)cc3O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
NSD2 O96028 3/20 0.51
CASP6 P55212 3/20 0.51
PTPN11 Q06124 2/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
CYP2C9 P11712 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C19 P33261 1/20 0.48
MMP14 P50281 2/20 0.48
PRMT1 Q99873 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1485998 0.88 CASP6 (0.57) NSD2CASP6PTPN11DUSP3PTPN5
SCHEMBL6050503 0.83 PRMT1 (0.48) NSD2CASP6PTPN11DUSP3PTPN5
SCHEMBL112101 0.81 EGFR (0.69) EGFRNSD2CASP6CYP2C9HSD17B10
SCHEMBL29378452 0.81 EGFR (0.69) EGFRNSD2CASP6CYP2C9HSD17B10
SCHEMBL112102 0.81 EGFR (0.69) EGFRNSD2CASP6CYP2C9HSD17B10
SCHEMBL3201337 0.80 CASP6 (0.70) NSD2CASP6PTPN11DUSP3PTPN5
SCHEMBL3823917 0.80 CASP6 (0.71) NSD2CASP6PTPN11DUSP3PTPN5
SCHEMBL144370 0.79 EGFR (0.67) EGFRNSD2CASP6CYP2C9HSD17B10
SCHEMBL144372 0.79 EGFR (0.67) EGFRNSD2CASP6CYP2C9HSD17B10
SCHEMBL2438105 0.79 PRMT1 (0.60) EGFRNSD2CASP6PTPN11DUSP3

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
EP-1614719-B1 AZO COMPOUND AND SALT THEREOF NIPPON KAYAKU KK (JP) 2009-09-09 EP disclosed
US-7304147-B2 Azo compound and salt thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-12-04 US disclosed
US-20070079740-A1 Azo compound and salt thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-04-12 US disclosed
EP-1614719-A1 AZO COMPOUND AND SALT THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-01-11 EP disclosed