SCHEMBL2900536

SCHEMBL2900536

O=S(=O)(O)c1cccc2cc3cccc(S(=O)(=O)O)c3cc12.[Na]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.52
FABP4 P15090 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK14 Q16539 1/20 0.46
NR4A1 P22736 1/20 0.45
ATIC P31939 3/20 0.43
CASP6 P55212 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHAT P28329 1/20 0.39

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
SCHEMBL5146164 1.00 TTR (0.52) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29987260 0.98 TTR (0.53) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL686854 0.98 TTR (0.53) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL5146252 0.93 TTR (0.53) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1394934 0.92 TTR (0.48) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL686665 0.91 TTR (0.55) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL155232 0.89 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
Anthracene SCHEMBL27538789 0.89 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29623319 0.89 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11680739 0.88 TTR (0.48) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7811517-B2 Method of tracing corrosive materials NALCO COMPANY (US) 2010-10-12 US disclosed
WO-2009111376-A1 METHOD OF TRACING CORROSIVE MATERIALS NALCO COMPANY (US) 2009-09-11 WO disclosed
US-20080160626-A1 METHOD OF TRACING CORROSIVE MATERIALS ECOLAB USA INC. 2008-07-03 US disclosed
US-20050025660-A1 Method of tracing corrosive materials ONDEO NALCO COMPANY 2005-02-03 US disclosed