SCHEMBL3831401

SCHEMBL3831401

CNc1ccc(N=Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.58
CASP6 P55212 3/20 0.51
NSD2 O96028 3/20 0.51
DUSP3 P51452 2/20 0.51
PTPN5 P54829 2/20 0.51
PTPN11 Q06124 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ENPP2 Q13822 6/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
NT5E P21589 2/20 0.48
CASP7 P55210 1/20 0.48
CD40 P25942 1/20 0.45
CD40LG P29965 1/20 0.45
SIRT1 Q96EB6 1/20 0.43
PRMT3 O60678 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL7537842 0.87 ENPP2 (0.49) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL37480409 0.86 PRMT1 (0.70) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL1374756 0.86 PRMT1 (0.70) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL7537836 0.86 ENPP2 (0.48) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL1485998 0.85 CASP6 (0.57) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL9776574 0.85 PRMT1 (0.68) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL3823917 0.83 CASP6 (0.71) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL18270519 0.81 PRMT1 (0.61) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL4651295 0.78 CASP6 (0.69) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL30213847 0.77 PRMT1 (0.74) PRMT1CASP6NSD2DUSP3PTPN5

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