SCHEMBL3823840

SCHEMBL3823840

CC(=O)Nc1cc(N)ccc1N=Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 3/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ PRMT1 Q99873 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ ENPP2 Q13822 9/20 0.45
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ AMY1A P0DUB6 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PHLPP2 Q6ZVD8 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
SCHEMBL8780009 0.90 ENPP2 (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6050503 0.90 PRMT1 (0.48) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL14004209 0.83 ENPP2 (0.60) CASP6NT5ECA2CA3ENPP2
SCHEMBL9507783 0.82 SENP2 (0.54) CASP6CA2CA3ENPP2AMY1A
SCHEMBL9762407 0.82 SENP2 (0.54) CASP6CA2CA3ENPP2AMY1A
SCHEMBL3823917 0.80 CASP6 (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9236858 0.80 ENPP2 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8047831 0.80 ENPP2 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL5889361 0.80 ENPP2 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9236836 0.79 ENPP2 (0.48) CASP6NSD2DUSP3PTPN5PTPN11

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
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