SCHEMBL6234561

SCHEMBL6234561

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.Nc1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.68
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
NT5E P21589 3/20 0.49
NSD2 O96028 3/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
SUMO2 P61956 2/20 0.44
SUMO1 P63165 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP2 Q9HC62 2/20 0.44
SENP3 Q9H4L4 1/20 0.44
SENP1 Q9P0U3 1/20 0.44
ENPP2 Q13822 2/20 0.41
GAA P10253 1/20 0.40
PLCG1 P19174 1/20 0.40
DNMT1 P26358 1/20 0.40

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
SCHEMBL1146228 0.89 ALDH1A1 (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL30639252 0.89 ALDH1A1 (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL7651109 0.89 ALDH1A1 (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL29624161 0.89 ALDH1A1 (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1755222 0.89 ALDH1A1 (0.62) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL28071057 0.88 ALDH1A1 (0.60) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL11598411 0.88 ALDH1A1 (0.60) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL11440002 0.86 CASP6 (0.77) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL343181 0.86 CASP6 (0.77) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL11573612 0.85 CASP6 (0.74) CASP6ALDH1A1HSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005550-A1 AZO COLORANT BASED ON 2-PHENYL-6-AMINO-7-METHOXYCARBONYL(3,4H)-CHINAZOLINE-4-ONE CLARIANT GMBH (DE) 2005-01-20 WO disclosed