SCHEMBL9621075

SCHEMBL9621075

O=S(=O)(O)c1ccc(S(=O)(=O)O)c2c(S(=O)(=O)O)ccc(S(=O)(=O)O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTR P02766 2/20 0.39
FABP4 P15090 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 2/20 0.39
NR4A1 P22736 1/20 0.38
ALDH1A1 P00352 2/20 0.38
COMT P21964 1/20 0.38
NT5E P21589 1/20 0.38
MYC P01106 1/20 0.37
SNCA P37840 2/20 0.36
CHAT P28329 1/20 0.36
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL14176581 0.87 AURKA (0.48) AURKAAURKBTTRFABP4CCNA2
SCHEMBL25122115 0.84 AURKA (0.35) AURKAAURKBTSHRSMN1; SMN2TTR
SCHEMBL6051233 0.84 AURKA (0.56) AURKAAURKBTSHRTTRNR4A1
SCHEMBL17212145 0.84 AURKA (0.35) AURKAAURKBTSHRSMN1; SMN2TTR
SCHEMBL7571936 0.81 AURKA (0.58) AURKAAURKBTSHRTTRNR4A1
SCHEMBL4709529 0.81 CYP1A2 (0.61) TSHRSMN1; SMN2TTRFABP4CCNA2
SCHEMBL10921837 0.80 TSHR (0.41) AURKAAURKBTSHRSMN1; SMN2TTR
SCHEMBL12919706 0.79 FABP4 (0.42) AURKAAURKBTSHRTTRFABP4
SCHEMBL15430100 0.79 MEN1 (0.40) AURKAAURKBTSHRSMN1; SMN2TTR
SCHEMBL6391678 0.78 TYMS (0.42) AURKAAURKBTSHRSMN1; SMN2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0218097-B1 STABILIZED AQUEOUS HYDROGEN PEROXIDE SOLUTION Bayer Corporation (US) 1992-01-15 EP claimed
EP-0218097-A2 Stabilized aqueous hydrogen peroxide solution Bayer Corporation (US) 1987-04-15 EP claimed
EP-0218097-B1 STABILIZED AQUEOUS HYDROGEN PEROXIDE SOLUTION Bayer Corporation (US) 1992-01-15 EP disclosed
US-4744968-A AROMATIC SULFONIC ACIDS, ACETANILIDE TECHNICON INSTRUMENTS CORPORATION (US) 1988-05-17 US disclosed
EP-0218097-A2 Stabilized aqueous hydrogen peroxide solution Bayer Corporation (US) 1987-04-15 EP disclosed