SCHEMBL8461125

SCHEMBL8461125

O=I(=O)c1c(I)cccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
MYC P01106 1/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR4A1 P22736 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
CHAT P28329 1/20 0.30
SNCA P37840 1/20 0.30

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
SCHEMBL7942928 0.75 TTR (0.44) TTRMYCFABP4CCNA2CDK2
SCHEMBL29566694 0.74 TSHR (0.44) TTRMYCFABP4CCNA2CDK2
SCHEMBL2567985 0.74 TSHR (0.44) TTRMYCFABP4CCNA2CDK2
SCHEMBL8608405 0.74 ALOX15 (0.43) TTRFABP4NR4A1TSHRSMN1; SMN2
SCHEMBL8462812 0.73 TTR (0.33) TTR
SCHEMBL8462782 0.73 TTR (0.36) TTRMYCCYP1A2
SCHEMBL6913540 0.73 MYC (0.42) TTRMYCFABP4CCNA2CDK2
SCHEMBL6916728 0.73 MYC (0.42) TTRMYCFABP4CCNA2CDK2
Hydrochloric Acid SCHEMBL11754062 0.73 MYC (0.42) TTRMYCFABP4CCNA2CDK2
SCHEMBL6913794 0.73 MYC (0.42) TTRMYCFABP4CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed