SCHEMBL7074262

SCHEMBL7074262

COc1cc(N)cc(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP13 P45452 3/20 0.37
MMP1 P03956 3/20 0.37
MMP8 P22894 1/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 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
SCHEMBL9457190 0.87 ALDH1A1 (0.36) HTTNPSR1LMNAALDH1A1F2
SCHEMBL15721011 0.81 HTR6 (0.40) HTR6HTTNPSR1MMP13MMP1
SCHEMBL11304535 0.80 POLB (0.35) HTTNPSR1MMP13MMP1MMP8
SCHEMBL22376102 0.79 HSD11B1 (0.48) L3MBTL1SMN1; SMN2
SCHEMBL12325146 0.79 HTR6 (0.47) HTR6MMP13MMP1MMP8LMNA
SCHEMBL10766564 0.78 HTT (0.61) HTTNPSR1MMP13MMP1MMP8
SCHEMBL1606727 0.77 HTR6 (0.49) HTR6ALDH1A1F2PRSS1PRSS2
SCHEMBL8080612 0.77 CA1 (0.38) HTTMMP13MMP1MMP8POLB
SCHEMBL25987068 0.77 ALDH1A1 (0.33) HTTNPSR1MMP13MMP1MMP8
SCHEMBL6935513 0.76 ALDH1A1 (0.37) HTTKMT2AALDH1A1CYP3A4

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-0979849-B1 Mixture of water soluble reactive azo dyes, process to manufacture same and its use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-01-15 EP disclosed
US-6136045-A FOR DYEING OR PRINTING HYDROXYL-AND/OR CARBOXAMIDO-CONTAINING MATERIAL SUCH AS COTTON OR POLYAMIDE FIBERS; HIGH COLOR YIELDS; GOOD FASTNESS PROPERTIES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-10-24 US disclosed
EP-0979849-A1 Mixture of water soluble reactive azo dyes, process to manufacture same and its use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-02-16 EP disclosed