SCHEMBL4349757

SCHEMBL4349757

O=S(=O)(O)c1ccc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.83
CASP6 P55212 2/20 0.60
NSD2 O96028 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
CASP7 P55210 1/20 0.60
PTPN11 Q06124 1/20 0.60
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
NT5E P21589 3/20 0.45
PRMT1 Q99873 1/20 0.45
LMNA P02545 1/20 0.43
TIMP3 P35625 1/20 0.42
SOS1 Q07889 1/20 0.42
TSHR P16473 2/20 0.42
CA2 P00918 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
SCHEMBL29843770 0.91 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL29668447 0.91 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL278412 0.91 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL11674227 0.91 SNCA (0.81) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL591962 0.90 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL10893032 0.90 SNCA (0.73) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL29411849 0.90 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL42176 0.90 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL29819272 0.90 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL18425292 0.88 SNCA (0.97) SNCACASP6NSD2DUSP3PTPN5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585361-B2 Porphyrazine coloring matter, ink, ink set and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-09-08 US disclosed
US-20090151599-A1 Porphyrazine Coloring Matter, Ink, Ink Set and Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-06-18 US disclosed