SCHEMBL9910771

SCHEMBL9910771

O=C1NC(O)c2c1cccc2S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.35
PGAM1 P18669 1/20 0.34
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
CDK4 P11802 1/20 0.33
PRKCA P17252 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CCND1 P24385 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
STAT3 P40763 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL1081094 0.74 PBRM1 (0.49) TTRPRKD3PRKCGPRKCBCDK4
SCHEMBL11358351 0.74 PBRM1 (0.49) PRKD3PRKCGPRKCBCDK4PRKCA
SCHEMBL23985252 0.74 PARP1 (0.39) PRKD3PRKCGPRKCBCDK4PRKCA
SCHEMBL10049028 0.71 PRKD3 (0.34) PRKD3PRKCGPRKCBCDK4PRKCA
SCHEMBL21903887 0.69 S100A4 (0.46) GAAMAPTKMT2A
SCHEMBL23797113 0.69 S100A4 (0.46) GAAMAPTKMT2A
SCHEMBL2524205 0.67 KDM4E (0.46) TTRPGAM1STAT3GAAMAPT
SCHEMBL30589371 0.67 KDM4E (0.46) TTRPGAM1STAT3GAAMAPT
SCHEMBL6699520 0.67 CA12 (0.44) TTRPGAM1STAT3KMT2A
SCHEMBL1270794 0.66 STAT3 (0.58) TTRPGAM1STAT3MAPTKMT2A

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
WO-2012072210-A1 METAL FREE ACID DYES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2012-06-07 WO disclosed