SCHEMBL7166757

SCHEMBL7166757

Nc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1.[Na]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.98
GNB1 P62873 5/20 0.98
CYP1A2 P05177 2/20 0.79
CYP2C9 P11712 2/20 0.79
ALOX15 P16050 2/20 0.79
HSD17B10 Q99714 2/20 0.79
PHLPP2 Q6ZVD8 2/20 0.79
ALDH1A1 P00352 1/20 0.79
CYP3A4 P08684 1/20 0.79
HPGD P15428 1/20 0.79
MAPK1 P28482 1/20 0.79
CYP2C19 P33261 1/20 0.79
HIF1A Q16665 1/20 0.79
P2RY4 P51582 8/20 0.77
P2RY12 Q9H244 6/20 0.62
P2RY2 P41231 5/20 0.62
P2RY6 Q15077 3/20 0.61
CDK2 P24941 2/20 0.61
P2RY1 P47900 2/20 0.61
CHAT P28329 2/20 0.60

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
SCHEMBL2778373 0.99 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL3020872 0.98 GNG2 (0.98) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8639112 0.91 GNG2 (0.81) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8640965 0.91 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13214229 0.91 GNG2 (0.87) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL791497 0.89 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL791019 0.89 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29357302 0.89 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL2781947 0.88 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL15371424 0.88 GNG2 (0.80) GNG2GNB1CYP1A2CYP2C9ALOX15

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
US-6554874-B1 Mixture of a bis(anthraquinonyl) substituted blue triazine dye; disazo triazine yellow- or orange dye; and disazo hydroxy-containing triazine red dye CIBA SPECIALTY CHEMICALS CORPORATION 2003-04-29 US disclosed