SCHEMBL6633412

SCHEMBL6633412

O=S(=O)(O)c1cc[c]c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
NR4A1 P22736 1/20 0.38
SNCA P37840 2/20 0.36
CHAT P28329 1/20 0.36
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MYC P01106 1/20 0.33
ATIC P31939 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL7067537 0.86 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1413194 0.77 TTR (0.39) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1804225 0.77 TTR (0.43) TTRSNCACHATAURKAAURKB
SCHEMBL1807070 0.76 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6633176 0.73 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6630662 0.73 TTR (0.36) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6629829 0.73 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6598756 0.72 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11489488 0.72 TTR (0.45) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1742117 0.70 TTR (0.59) 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
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed