SCHEMBL4881379

SCHEMBL4881379

Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 5/20 0.57
NSD2 O96028 4/20 0.57
DUSP3 P51452 2/20 0.57
PTPN5 P54829 2/20 0.57
PTPN11 Q06124 2/20 0.57
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
NT5E P21589 5/20 0.53
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
PRMT1 Q99873 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.47
GAA P10253 3/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 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
SCHEMBL6123733 0.87 CASP6 (0.54) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1413168 0.86 CASP6 (0.57) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29415548 0.85 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29516387 0.85 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL713434 0.85 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6205724 0.85 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9188809 0.83 CASP6 (0.54) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL3238294 0.83 ALDH1A1 (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL30331110 0.83 ALDH1A1 (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL30331075 0.83 ALDH1A1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080026191-A1 Compounds, compositions and processes FUJIFILM IMAGING COLORANTS LIMITED 2008-01-31 US disclosed
US-20080026191-A1 Compounds, compositions and processes FUJIFILM IMAGING COLORANTS LIMITED 2008-01-31 US disclosed